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| 1 | +++ a/CMakeLists.txt | |
| 1 | +# CMake project file for our t-matrix framework | |
| 2 | +cmake_minimum_required (VERSION 2.8) | |
| 3 | +project (ms-tmatrix) | |
| 4 | +enable_language(Fortran) | |
| 5 | + | |
| 6 | +find_package(PythonInterp REQUIRED) | |
| 7 | + | |
| 8 | +#find any non-standard modules | |
| 9 | +set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_SOURCE_DIR}") | |
| 10 | +find_package(Matplotlib REQUIRED) | |
| 11 | +find_package(PyQt4) | |
| 12 | + | |
| 13 | +#copy all of the front-end scripts to the binary directory | |
| 14 | +file(GLOB PY_SCRIPTS RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}/*.py") | |
| 15 | +add_custom_target( frontend-scripts ALL DEPENDS ${CMAKE_CURRENT_BINARY_DIR}/${PY_SCRIPTS}) | |
| 16 | +foreach(PY_SCRIPT ${PY_SCRIPTS}) | |
| 17 | + add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/${PY_SCRIPT} | |
| 18 | + COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/${PY_SCRIPT} ${CMAKE_CURRENT_BINARY_DIR}/${PY_SCRIPT} | |
| 19 | + DEPENDS ${CMAKE_CURRENT_SOURCE_DIR}/${PY_SCRIPTS} | |
| 20 | + ) | |
| 21 | +endforeach(PY_SCRIPT) | |
| 22 | + | |
| 23 | +#copy default input data | |
| 24 | +configure_file(msinput.inp ${CMAKE_CURRENT_BINARY_DIR}/msinput.inp @ONLY) | |
| 25 | +configure_file(cube27.pos ${CMAKE_CURRENT_BINARY_DIR}/cube27.pos @ONLY) | |
| 26 | +configure_file(cyl3000fvp5.pos ${CMAKE_CURRENT_BINARY_DIR}/cyl3000fvp5.pos @ONLY) | |
| 27 | +configure_file(cylslab3000.pos ${CMAKE_CURRENT_BINARY_DIR}/cylslab3000.pos @ONLY) | |
| 28 | +configure_file(etaGold.txt ${CMAKE_CURRENT_BINARY_DIR}/etaGold.txt @ONLY) | |
| 29 | +configure_file(etaSilver.txt ${CMAKE_CURRENT_BINARY_DIR}/etaSilver.txt @ONLY) | |
| 30 | +configure_file(mstm_guiwindow.ui ${CMAKE_CURRENT_BINARY_DIR}/mstm_guiwindow.ui @ONLY) | |
| 31 | + | |
| 32 | + | |
| 33 | +#compile the FORTRAN code | |
| 34 | +file(GLOB SRC "mpidefs-serial.f90" "mstm-intrinsics.f90" "mstm-modules-v2.2.f90" "mstm-main-v2.2.f90") | |
| 35 | +add_executable(ms-tmatrix ${SRC}) | |
| 0 | 36 | \ No newline at end of file | ... | ... |
| 1 | +++ a/FindMatplotlib.cmake | |
| 1 | +# - Find the matplotlib libraries | |
| 2 | +# This module finds IF matplotlib is installed, and sets the following variables | |
| 3 | +# indicating where it is. | |
| 4 | +# | |
| 5 | +# MATPLOTLIB_FOUND - was matplotlib found | |
| 6 | +# MATPLOTLIB_VERSION - the version of matplotlib found as a string | |
| 7 | +# MATPLOTLIB_VERSION_MAJOR - the major version number of matplotlib | |
| 8 | +# MATPLOTLIB_VERSION_MINOR - the minor version number of matplotlib | |
| 9 | +# MATPLOTLIB_VERSION_PATCH - the patch version number of matplotlib | |
| 10 | +# MATPLOTLIB_PATH_DIRS - path to the matplotlib include files | |
| 11 | + | |
| 12 | +IF(PYTHONINTERP_FOUND) | |
| 13 | + # Try to import matplotlib into Python interpreter. Python | |
| 14 | + # interpreter was found previously as required package, so | |
| 15 | + # don't take care about this. | |
| 16 | + execute_process(COMMAND "${PYTHON_EXECUTABLE}" "-c" | |
| 17 | + "import matplotlib as m; print(m.__version__); print(m.__path__[0]);" | |
| 18 | + RESULT_VARIABLE _MATPLOTLIB_SEARCH_SUCCESS | |
| 19 | + OUTPUT_VARIABLE _MATPLOTLIB_VALUES | |
| 20 | + ERROR_VARIABLE _MATPLOTLIB_ERROR_VALUE | |
| 21 | + OUTPUT_STRIP_TRAILING_WHITESPACE) | |
| 22 | + | |
| 23 | + IF(_MATPLOTLIB_SEARCH_SUCCESS MATCHES 0) | |
| 24 | + set(MATPLOTLIB_FOUND TRUE) | |
| 25 | + | |
| 26 | + # Convert the process output into a list | |
| 27 | + string(REGEX REPLACE ";" "\\\\;" _MATPLOTLIB_VALUES ${_MATPLOTLIB_VALUES}) | |
| 28 | + string(REGEX REPLACE "\n" ";" _MATPLOTLIB_VALUES ${_MATPLOTLIB_VALUES}) | |
| 29 | + list(GET _MATPLOTLIB_VALUES 0 MATPLOTLIB_VERSION) | |
| 30 | + list(GET _MATPLOTLIB_VALUES 1 MATPLOTLIB_PATH_DIRS) | |
| 31 | + | |
| 32 | + # Make sure all directory separators are '/' | |
| 33 | + string(REGEX REPLACE "\\\\" "/" MATPLOTLIB_PATH_DIRS ${MATPLOTLIB_PATH_DIRS}) | |
| 34 | + | |
| 35 | + # Get the major and minor version numbers | |
| 36 | + string(REGEX REPLACE "\\." ";" _MATPLOTLIB_VERSION_LIST ${MATPLOTLIB_VERSION}) | |
| 37 | + list(GET _MATPLOTLIB_VERSION_LIST 0 MATPLOTLIB_VERSION_MAJOR) | |
| 38 | + list(GET _MATPLOTLIB_VERSION_LIST 1 MATPLOTLIB_VERSION_MINOR) | |
| 39 | + list(GET _MATPLOTLIB_VERSION_LIST 2 MATPLOTLIB_VERSION_PATCH) | |
| 40 | + ELSE() | |
| 41 | + set(MATPLOTLIB_FOUND FALSE) | |
| 42 | + ENDIF() | |
| 43 | +ELSE() | |
| 44 | + set(MATPLOTLIB_FOUND FALSE) | |
| 45 | +ENDIF() | |
| 0 | 46 | \ No newline at end of file | ... | ... |
| 1 | +++ a/FindPyQt4.cmake | |
| 1 | +# Find PyQt4 | |
| 2 | +# ~~~~~~~~~~ | |
| 3 | +# Copyright (c) 2007-2008, Simon Edwards <simon@simonzone.com> | |
| 4 | +# Redistribution and use is allowed according to the terms of the BSD license. | |
| 5 | +# For details see the accompanying COPYING-CMAKE-SCRIPTS file. | |
| 6 | +# | |
| 7 | +# PyQt4 website: http://www.riverbankcomputing.co.uk/pyqt/index.php | |
| 8 | +# | |
| 9 | +# Find the installed version of PyQt4. FindPyQt4 should only be called after | |
| 10 | +# Python has been found. | |
| 11 | +# | |
| 12 | +# This file defines the following variables: | |
| 13 | +# | |
| 14 | +# PYQT4_VERSION - The version of PyQt4 found expressed as a 6 digit hex number | |
| 15 | +# suitable for comparision as a string | |
| 16 | +# | |
| 17 | +# PYQT4_VERSION_STR - The version of PyQt4 as a human readable string. | |
| 18 | +# | |
| 19 | +# PYQT4_VERSION_TAG - The PyQt version tag using by PyQt's sip files. | |
| 20 | +# | |
| 21 | +# PYQT4_SIP_DIR - The directory holding the PyQt4 .sip files. | |
| 22 | +# | |
| 23 | +# PYQT4_SIP_FLAGS - The SIP flags used to build PyQt. | |
| 24 | + | |
| 25 | +IF(EXISTS PYQT4_VERSION) | |
| 26 | + # Already in cache, be silent | |
| 27 | + SET(PYQT4_FOUND TRUE) | |
| 28 | +ELSE(EXISTS PYQT4_VERSION) | |
| 29 | + | |
| 30 | + FIND_FILE(_find_pyqt_py FindPyQt.py PATHS ${CMAKE_MODULE_PATH}) | |
| 31 | + | |
| 32 | + EXECUTE_PROCESS(COMMAND ${PYTHON_EXECUTABLE} ${_find_pyqt_py} OUTPUT_VARIABLE pyqt_config) | |
| 33 | + IF(pyqt_config) | |
| 34 | + STRING(REGEX REPLACE "^pyqt_version:([^\n]+).*$" "\\1" PYQT4_VERSION ${pyqt_config}) | |
| 35 | + STRING(REGEX REPLACE ".*\npyqt_version_str:([^\n]+).*$" "\\1" PYQT4_VERSION_STR ${pyqt_config}) | |
| 36 | + STRING(REGEX REPLACE ".*\npyqt_version_tag:([^\n]+).*$" "\\1" PYQT4_VERSION_TAG ${pyqt_config}) | |
| 37 | + STRING(REGEX REPLACE ".*\npyqt_sip_dir:([^\n]+).*$" "\\1" PYQT4_SIP_DIR ${pyqt_config}) | |
| 38 | + STRING(REGEX REPLACE ".*\npyqt_sip_flags:([^\n]+).*$" "\\1" PYQT4_SIP_FLAGS ${pyqt_config}) | |
| 39 | + | |
| 40 | + SET(PYQT4_FOUND TRUE) | |
| 41 | + ENDIF(pyqt_config) | |
| 42 | + | |
| 43 | + IF(PYQT4_FOUND) | |
| 44 | + IF(NOT PYQT4_FIND_QUIETLY) | |
| 45 | + MESSAGE(STATUS "Found PyQt4 version: ${PYQT4_VERSION_STR}") | |
| 46 | + ENDIF(NOT PYQT4_FIND_QUIETLY) | |
| 47 | + ELSE(PYQT4_FOUND) | |
| 48 | + IF(PYQT4_FIND_REQUIRED) | |
| 49 | + MESSAGE(FATAL_ERROR "Could not find Python") | |
| 50 | + ENDIF(PYQT4_FIND_REQUIRED) | |
| 51 | + ENDIF(PYQT4_FOUND) | |
| 52 | + | |
| 53 | +ENDIF(EXISTS PYQT4_VERSION) | ... | ... |
| 1 | +++ a/README.md | |
| 1 | +This software is designed to be used with CMake, so we recommend using it to build the application. | |
| 2 | + | |
| 3 | +The MSTM application requires a Fortran compiler and OpenMP. | |
| 4 | + | |
| 5 | +In addition, the GUI requires: | |
| 6 | + | |
| 7 | +Python -- http://www.python.org/ | |
| 8 | +Qt4 (user interface library) -- http://qt-project.org/ | |
| 9 | +PyQt4 (Python library for Qt4) -- http://wiki.python.org/moin/PyQt4 | |
| 10 | +matlibplot (Plotting library for Python) -- http://matplotlib.org/ | |
| 11 | + | |
| 12 | +These should be available easily through most Linux package managers and can be downloaded individually for Windows systems. If they are installed through Linux, CMake should be able to find them without any problems. Windows users may have to point CMake to the installed locations. | |
| 0 | 13 | \ No newline at end of file | ... | ... |
| 1 | +++ a/cube27.pos | |
| 1 | +1. -2. -2. -2. 1. 1. | |
| 2 | +1. -2. -2. 0 1. 1. | |
| 3 | +1. -2. -2. 2. 1. 1. | |
| 4 | +1. -2. 0 -2. 1. 1. | |
| 5 | +1. -2. 0 0 1. 1. | |
| 6 | +1. -2. 0 2. 1. 1. | |
| 7 | +1. -2. 2. -2. 1. 1. | |
| 8 | +1. -2. 2. 0 1. 1. | |
| 9 | +1. -2. 2. 2. 1. 1. | |
| 10 | +1. 0 -2. -2. 1. 1. | |
| 11 | +1. 0 -2. 0 1. 1. | |
| 12 | +1. 0 -2. 2. 1. 1. | |
| 13 | +1. 0 0 -2. 1. 1. | |
| 14 | +1. 0 0 0 1. 1. | |
| 15 | +1. 0 0 2. 1. 1. | |
| 16 | +1. 0 2. -2. 1. 1. | |
| 17 | +1. 0 2. 0 1. 1. | |
| 18 | +1. 0 2. 2. 1. 1. | |
| 19 | +1. 2. -2. -2. 1. 1. | |
| 20 | +1. 2. -2. 0 1. 1. | |
| 21 | +1. 2. -2. 2. 1. 1. | |
| 22 | +1. 2. 0 -2. 1. 1. | |
| 23 | +1. 2. 0 0 1. 1. | |
| 24 | +1. 2. 0 2. 1. 1. | |
| 25 | +1. 2. 2. -2. 1. 1. | |
| 26 | +1. 2. 2. 0 1. 1. | |
| 27 | +1. 2. 2. 2. 1. 1. | ... | ... |
| 1 | +++ a/cyl3000fvp5.pos | |
| 1 | + 1. -0.12965E+02 -0.93624E+01 -0.99941E+01 | |
| 2 | + 1. 0.85070E+01 0.16922E+02 -0.99904E+01 | |
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| 1812 | + 1. -0.40597E+01 0.18756E+02 0.20743E+01 | |
| 1813 | + 1. 0.11713E+02 0.16013E+02 0.20841E+01 | |
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| 1815 | + 1. 0.13013E+02 0.11660E+02 0.20935E+01 | |
| 1816 | + 1. -0.87368E+00 -0.13196E+02 0.21036E+01 | |
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| 1818 | + 1. 0.16579E+02 -0.51297E+01 0.21141E+01 | |
| 1819 | + 1. -0.64979E+01 0.17788E+02 0.21213E+01 | |
| 1820 | + 1. -0.34746E+01 0.91649E+01 0.21315E+01 | |
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| 1824 | + 1. -0.61170E+01 0.80648E+01 0.21547E+01 | |
| 1825 | + 1. 0.14862E+02 0.13281E+02 0.21621E+01 | |
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| 1830 | + 1. 0.98961E-01 -0.95634E+01 0.21949E+01 | |
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| 1832 | + 1. 0.48711E+01 0.60535E+01 0.22128E+01 | |
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| 1839 | + 1. -0.68599E+01 -0.14743E+00 0.22539E+01 | |
| 1840 | + 1. 0.54741E+01 0.18747E+02 0.22623E+01 | |
| 1841 | + 1. -0.19883E+01 0.17970E+02 0.22731E+01 | |
| 1842 | + 1. -0.13040E+02 0.23678E+00 0.22758E+01 | |
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| 1847 | + 1. 0.16260E+02 0.10739E+02 0.23092E+01 | |
| 1848 | + 1. 0.48490E+01 0.18184E+01 0.23151E+01 | |
| 1849 | + 1. -0.65921E+01 -0.18126E+02 0.23213E+01 | |
| 1850 | + 1. -0.41149E+01 0.12483E+02 0.23288E+01 | |
| 1851 | + 1. -0.16083E+02 -0.65537E+01 0.23397E+01 | |
| 1852 | + 1. 0.77332E+01 -0.10577E+02 0.23431E+01 | |
| 1853 | + 1. -0.44999E+01 0.45343E+01 0.23499E+01 | |
| 1854 | + 1. 0.12844E+01 -0.64655E+01 0.23588E+01 | |
| 1855 | + 1. -0.12675E+01 0.11873E+02 0.23655E+01 | |
| 1856 | + 1. -0.18389E+01 -0.18041E+02 0.23714E+01 | |
| 1857 | + 1. 0.10845E+01 0.92539E+01 0.23748E+01 | |
| 1858 | + 1. 0.74691E+01 0.18367E+02 0.23857E+01 | |
| 1859 | + 1. 0.39308E+01 -0.11917E+02 0.23913E+01 | |
| 1860 | + 1. -0.15241E+02 0.80387E+01 0.23955E+01 | |
| 1861 | + 1. 0.50544E+01 -0.16291E+02 0.24003E+01 | |
| 1862 | + 1. -0.43407E+01 0.70176E+01 0.24107E+01 | |
| 1863 | + 1. -0.10434E+02 -0.18153E+01 0.24145E+01 | |
| 1864 | + 1. 0.11349E+02 0.12561E+01 0.24214E+01 | |
| 1865 | + 1. -0.10064E+02 0.78412E+01 0.24296E+01 | |
| 1866 | + 1. -0.18592E+02 -0.66910E+01 0.24375E+01 | |
| 1867 | + 1. -0.55864E+01 -0.78730E+01 0.24416E+01 | |
| 1868 | + 1. -0.57615E+01 0.20131E+01 0.24482E+01 | |
| 1869 | + 1. -0.17875E+02 0.38405E+01 0.24580E+01 | |
| 1870 | + 1. 0.84474E+01 0.86212E+01 0.24600E+01 | |
| 1871 | + 1. 0.11186E+02 -0.13335E+02 0.24685E+01 | |
| 1872 | + 1. -0.55701E+01 -0.12473E+02 0.24786E+01 | |
| 1873 | + 1. 0.13016E+02 -0.86189E+01 0.24805E+01 | |
| 1874 | + 1. 0.19542E+01 0.18663E+00 0.24903E+01 | |
| 1875 | + 1. -0.48594E+01 -0.47839E+01 0.24950E+01 | |
| 1876 | + 1. 0.31858E+01 -0.81132E+01 0.25048E+01 | |
| 1877 | + 1. 0.14481E+02 -0.84746E+00 0.25132E+01 | |
| 1878 | + 1. 0.65496E+01 -0.18776E+02 0.25169E+01 | |
| 1879 | + 1. 0.18950E+02 -0.12457E+01 0.25218E+01 | |
| 1880 | + 1. -0.13383E+02 0.10000E+02 0.25303E+01 | |
| 1881 | + 1. 0.95009E+01 0.13040E+02 0.25362E+01 | |
| 1882 | + 1. -0.37418E+01 -0.16274E+02 0.25429E+01 | |
| 1883 | + 1. -0.72772E+01 0.15518E+02 0.25482E+01 | |
| 1884 | + 1. 0.53940E+01 -0.41554E+01 0.25545E+01 | |
| 1885 | + 1. 0.17853E+02 0.19790E+01 0.25620E+01 | |
| 1886 | + 1. -0.12593E+02 0.15500E+02 0.25690E+01 | |
| 1887 | + 1. 0.11761E+02 -0.52701E+01 0.25755E+01 | |
| 1888 | + 1. -0.13327E+02 -0.13437E+02 0.25835E+01 | |
| 1889 | + 1. -0.19452E+02 -0.43408E+01 0.25932E+01 | |
| 1890 | + 1. -0.65222E+01 0.41486E+01 0.25954E+01 | |
| 1891 | + 1. -0.12752E+02 -0.55963E+01 0.26010E+01 | |
| 1892 | + 1. 0.48868E+01 0.16080E+02 0.26092E+01 | |
| 1893 | + 1. 0.36768E+01 -0.14520E+02 0.26191E+01 | |
| 1894 | + 1. 0.91161E+01 0.60675E+01 0.26247E+01 | |
| 1895 | + 1. -0.94499E+01 -0.13474E+02 0.26279E+01 | |
| 1896 | + 1. -0.11019E+02 0.43284E+00 0.26394E+01 | |
| 1897 | + 1. -0.76934E+01 0.13078E+02 0.26423E+01 | |
| 1898 | + 1. -0.14997E+02 -0.20535E+01 0.26506E+01 | |
| 1899 | + 1. 0.19127E+02 -0.46016E+01 0.26534E+01 | |
| 1900 | + 1. 0.48259E+01 0.39753E+01 0.26601E+01 | |
| 1901 | + 1. -0.55020E+01 -0.99609E+01 0.26691E+01 | |
| 1902 | + 1. -0.17068E+02 0.58466E+01 0.26753E+01 | |
| 1903 | + 1. 0.15359E+02 0.40272E+01 0.26854E+01 | |
| 1904 | + 1. 0.16768E+02 0.75197E+01 0.26925E+01 | |
| 1905 | + 1. -0.15449E+02 -0.92488E+01 0.26976E+01 | |
| 1906 | + 1. 0.12123E+02 0.14075E+02 0.27036E+01 | |
| 1907 | + 1. -0.78629E+01 -0.15718E+02 0.27088E+01 | |
| 1908 | + 1. -0.91617E+01 0.99868E+01 0.27164E+01 | |
| 1909 | + 1. -0.22572E+01 0.69578E+01 0.27244E+01 | |
| 1910 | + 1. -0.15600E+02 -0.11104E+00 0.27297E+01 | |
| 1911 | + 1. 0.20344E+01 -0.10319E+02 0.27347E+01 | |
| 1912 | + 1. 0.20796E+01 -0.18884E+02 0.27410E+01 | |
| 1913 | + 1. -0.17455E+02 0.12836E+01 0.27478E+01 | |
| 1914 | + 1. -0.21358E+01 -0.98918E+01 0.27536E+01 | |
| 1915 | + 1. 0.77904E+01 -0.10075E+01 0.27642E+01 | |
| 1916 | + 1. -0.12964E+01 -0.45846E+01 0.27708E+01 | |
| 1917 | + 1. 0.42583E+00 0.17228E+02 0.27766E+01 | |
| 1918 | + 1. 0.14968E+02 -0.39824E+01 0.27842E+01 | |
| 1919 | + 1. 0.15987E+02 -0.74988E+01 0.27900E+01 | |
| 1920 | + 1. 0.18544E+02 -0.70933E+01 0.27985E+01 | |
| 1921 | + 1. -0.79387E+01 -0.97576E+01 0.28051E+01 | |
| 1922 | + 1. -0.53591E+01 -0.14809E+02 0.28105E+01 | |
| 1923 | + 1. 0.62050E+01 0.14081E+02 0.28188E+01 | |
| 1924 | + 1. -0.46828E+01 -0.19225E+02 0.28258E+01 | |
| 1925 | + 1. -0.28433E+01 0.57114E+00 0.28305E+01 | |
| 1926 | + 1. -0.88330E+00 0.99367E+01 0.28342E+01 | |
| 1927 | + 1. -0.10612E+02 0.15422E+02 0.28439E+01 | |
| 1928 | + 1. 0.20058E+01 -0.13316E+02 0.28467E+01 | |
| 1929 | + 1. 0.11445E+02 0.59065E+01 0.28546E+01 | |
| 1930 | + 1. -0.10640E+02 -0.11592E+02 0.28608E+01 | |
| 1931 | + 1. 0.71881E+01 -0.14586E+02 0.28694E+01 | |
| 1932 | + 1. -0.18809E+02 -0.33211E+00 0.28767E+01 | |
| 1933 | + 1. -0.15019E+02 0.11504E+02 0.28857E+01 | |
| 1934 | + 1. 0.97087E+01 0.10453E+02 0.28926E+01 | |
| 1935 | + 1. 0.82465E+01 -0.12651E+02 0.28951E+01 | |
| 1936 | + 1. -0.15697E+02 -0.46430E+01 0.29006E+01 | |
| 1937 | + 1. 0.99166E+01 -0.16735E+02 0.29094E+01 | |
| 1938 | + 1. 0.14821E+02 0.70569E+01 0.29161E+01 | |
| 1939 | + 1. -0.21396E+01 0.19875E+02 0.29260E+01 | |
| 1940 | + 1. 0.62990E+01 0.90152E+01 0.29321E+01 | |
| 1941 | + 1. 0.52390E+00 -0.17279E+02 0.29369E+01 | |
| 1942 | + 1. 0.28061E+00 -0.11455E+02 0.29439E+01 | |
| 1943 | + 1. 0.13198E+02 -0.10737E+02 0.29480E+01 | |
| 1944 | + 1. -0.18494E+01 -0.14729E+02 0.29568E+01 | |
| 1945 | + 1. -0.60073E+01 0.11908E+02 0.29665E+01 | |
| 1946 | + 1. 0.15733E+02 0.97219E+00 0.29675E+01 | |
| 1947 | + 1. -0.15228E+02 -0.11621E+02 0.29779E+01 | |
| 1948 | + 1. -0.11354E+02 0.24404E+01 0.29850E+01 | |
| 1949 | + 1. 0.81726E+01 -0.56397E+01 0.29873E+01 | |
| 1950 | + 1. 0.95693E+01 -0.20185E+01 0.29938E+01 | |
| 1951 | + 1. -0.19876E+01 0.14623E+02 0.30034E+01 | |
| 1952 | + 1. 0.27537E+01 0.19773E+02 0.30078E+01 | |
| 1953 | + 1. -0.11882E+02 0.45864E+01 0.30166E+01 | |
| 1954 | + 1. 0.28131E+01 0.10155E+02 0.30265E+01 | |
| 1955 | + 1. -0.12530E+02 -0.15239E+02 0.30332E+01 | |
| 1956 | + 1. 0.10098E+02 -0.65581E+01 0.30386E+01 | |
| 1957 | + 1. -0.90779E+01 0.11031E+01 0.30418E+01 | |
| 1958 | + 1. -0.32689E+01 -0.79323E+01 0.30490E+01 | |
| 1959 | + 1. 0.33186E+01 0.70269E+01 0.30573E+01 | |
| 1960 | + 1. -0.11569E+02 -0.80732E+01 0.30621E+01 | |
| 1961 | + 1. 0.60583E+01 -0.63004E+01 0.30710E+01 | |
| 1962 | + 1. -0.62785E+01 -0.29723E+01 0.30755E+01 | |
| 1963 | + 1. 0.21201E+01 0.23203E+01 0.30840E+01 | |
| 1964 | + 1. 0.26479E+01 -0.50621E+01 0.30920E+01 | |
| 1965 | + 1. 0.13124E+02 -0.13727E+02 0.30960E+01 | |
| 1966 | + 1. -0.80884E+01 0.78197E+01 0.31011E+01 | |
| 1967 | + 1. 0.13312E+01 0.14733E+02 0.31070E+01 | |
| 1968 | + 1. -0.13106E+02 0.80749E+01 0.31149E+01 | |
| 1969 | + 1. 0.43977E+01 -0.10069E+02 0.31219E+01 | |
| 1970 | + 1. 0.13356E+02 -0.24245E+01 0.31330E+01 | |
| 1971 | + 1. 0.19854E+02 0.11587E+01 0.31337E+01 | |
| 1972 | + 1. 0.15841E+02 -0.10885E+02 0.31444E+01 | |
| 1973 | + 1. -0.83532E+01 0.17922E+02 0.31475E+01 | |
| 1974 | + 1. 0.13449E+02 -0.67740E+01 0.31564E+01 | |
| 1975 | + 1. 0.10144E+02 0.16785E+02 0.31627E+01 | |
| 1976 | + 1. 0.93468E+01 0.13062E+01 0.31723E+01 | |
| 1977 | + 1. 0.86329E+01 -0.86652E+01 0.31765E+01 | |
| 1978 | + 1. -0.85711E+01 -0.78868E+01 0.31820E+01 | |
| 1979 | + 1. 0.50200E+00 -0.10723E+01 0.31893E+01 | |
| 1980 | + 1. -0.13357E+02 0.25404E+01 0.31999E+01 | |
| 1981 | + 1. -0.12382E+02 -0.14741E+01 0.32064E+01 | |
| 1982 | + 1. -0.51129E+01 0.97384E+01 0.32096E+01 | |
| 1983 | + 1. -0.96108E+01 0.12566E+02 0.32196E+01 | |
| 1984 | + 1. 0.21073E+01 0.12568E+02 0.32235E+01 | |
| 1985 | + 1. -0.26028E+01 -0.26405E+01 0.32274E+01 | |
| 1986 | + 1. -0.22651E+00 0.43610E+01 0.32362E+01 | |
| 1987 | + 1. 0.93359E+01 -0.14602E+02 0.32405E+01 | |
| 1988 | + 1. 0.50355E+01 -0.12255E+01 0.32488E+01 | |
| 1989 | + 1. -0.17168E+02 -0.10163E+02 0.32544E+01 | |
| 1990 | + 1. 0.16435E+02 -0.12161E+01 0.32649E+01 | |
| 1991 | + 1. 0.11286E+02 0.11891E+02 0.32689E+01 | |
| 1992 | + 1. -0.86888E+00 -0.19865E+02 0.32787E+01 | |
| 1993 | + 1. -0.11804E+02 0.12386E+02 0.32816E+01 | |
| 1994 | + 1. -0.84513E+01 -0.18010E+02 0.32871E+01 | |
| 1995 | + 1. 0.18722E+02 0.67674E+01 0.32952E+01 | |
| 1996 | + 1. -0.66976E+01 -0.61500E+01 0.33031E+01 | |
| 1997 | + 1. -0.44618E+01 0.17063E+02 0.33103E+01 | |
| 1998 | + 1. -0.14171E+02 -0.68801E+01 0.33195E+01 | |
| 1999 | + 1. 0.94226E+01 0.14919E+02 0.33221E+01 | |
| 2000 | + 1. -0.11480E+02 0.99443E+01 0.33306E+01 | |
| 2001 | + 1. -0.34928E+01 0.24126E+01 0.33398E+01 | |
| 2002 | + 1. 0.19069E+00 -0.15341E+02 0.33433E+01 | |
| 2003 | + 1. 0.11446E+02 0.84671E+01 0.33469E+01 | |
| 2004 | + 1. 0.68542E+01 0.67636E+01 0.33572E+01 | |
| 2005 | + 1. -0.71807E-01 -0.77101E+01 0.33610E+01 | |
| 2006 | + 1. 0.10614E+02 0.30148E+01 0.33719E+01 | |
| 2007 | + 1. -0.32618E+01 -0.58775E+01 0.33775E+01 | |
| 2008 | + 1. -0.38065E+01 -0.10974E+02 0.33828E+01 | |
| 2009 | + 1. -0.85089E+01 -0.30943E+01 0.33873E+01 | |
| 2010 | + 1. 0.54609E+01 -0.13576E+02 0.33964E+01 | |
| 2011 | + 1. -0.18621E+02 0.69901E+01 0.34041E+01 | |
| 2012 | + 1. 0.35582E+01 -0.17216E+02 0.34110E+01 | |
| 2013 | + 1. -0.12092E+02 -0.10155E+02 0.34137E+01 | |
| 2014 | + 1. 0.79815E+01 0.39831E+01 0.34257E+01 | |
| 2015 | + 1. 0.72104E+01 0.10749E+02 0.34307E+01 | |
| 2016 | + 1. 0.64899E+01 -0.11772E+02 0.34354E+01 | |
| 2017 | + 1. -0.16964E+02 -0.80348E+01 0.34422E+01 | |
| 2018 | + 1. 0.35876E+01 -0.28444E+01 0.34523E+01 | |
| 2019 | + 1. 0.49800E-01 0.13609E+01 0.34560E+01 | |
| 2020 | + 1. -0.16802E+02 0.89484E+01 0.34616E+01 | |
| 2021 | + 1. 0.14706E+02 0.11669E+02 0.34699E+01 | |
| 2022 | + 1. 0.19592E+02 0.38912E+01 0.34780E+01 | |
| 2023 | + 1. -0.19786E+02 -0.19731E+01 0.34826E+01 | |
| 2024 | + 1. -0.14756E+02 0.55716E+01 0.34882E+01 | |
| 2025 | + 1. -0.87913E+01 -0.90671E+00 0.34998E+01 | |
| 2026 | + 1. -0.97784E+01 -0.15831E+02 0.35060E+01 | |
| 2027 | + 1. -0.88465E+01 0.37619E+01 0.35103E+01 | |
| 2028 | + 1. 0.46353E+01 0.11183E+02 0.35133E+01 | |
| 2029 | + 1. 0.71258E+01 -0.16597E+02 0.35233E+01 | |
| 2030 | + 1. -0.27136E+01 0.44191E+01 0.35292E+01 | |
| 2031 | + 1. -0.17576E+02 -0.52954E+01 0.35363E+01 | |
| 2032 | + 1. 0.15992E+02 0.91820E+01 0.35415E+01 | |
| 2033 | + 1. -0.34370E+01 -0.12944E+02 0.35511E+01 | |
| 2034 | + 1. 0.96474E+01 -0.10917E+02 0.35570E+01 | |
| 2035 | + 1. 0.11201E+02 -0.97363E+00 0.35660E+01 | |
| 2036 | + 1. 0.69128E+01 0.14835E+01 0.35693E+01 | |
| 2037 | + 1. 0.13648E+02 0.85810E+01 0.35760E+01 | |
| 2038 | + 1. -0.58314E+01 -0.16597E+02 0.35814E+01 | |
| 2039 | + 1. -0.10112E+02 -0.64320E+01 0.35901E+01 | |
| 2040 | + 1. -0.77932E+01 -0.12691E+02 0.35969E+01 | |
| 2041 | + 1. -0.16346E+02 0.29773E+01 0.36009E+01 | |
| 2042 | + 1. 0.90604E+01 -0.38896E+01 0.36118E+01 | |
| 2043 | + 1. -0.66577E+01 0.62703E+01 0.36147E+01 | |
| 2044 | + 1. -0.76907E+01 0.11004E+02 0.36226E+01 | |
| 2045 | + 1. -0.17286E+02 -0.17338E+01 0.36286E+01 | |
| 2046 | + 1. 0.39318E+00 -0.31110E+01 0.36366E+01 | |
| 2047 | + 1. -0.10899E+02 0.64246E+01 0.36430E+01 | |
| 2048 | + 1. 0.11207E+02 -0.88555E+01 0.36473E+01 | |
| 2049 | + 1. -0.45085E+01 -0.72715E+00 0.36568E+01 | |
| 2050 | + 1. -0.24816E+01 0.16574E+02 0.36655E+01 | |
| 2051 | + 1. -0.19425E+02 0.43655E+01 0.36673E+01 | |
| 2052 | + 1. 0.17137E+02 0.49085E+01 0.36794E+01 | |
| 2053 | + 1. 0.51243E+01 -0.81151E+01 0.36838E+01 | |
| 2054 | + 1. 0.35361E+01 0.99607E+00 0.36893E+01 | |
| 2055 | + 1. -0.28429E+01 -0.19261E+02 0.36967E+01 | |
| 2056 | + 1. 0.13311E+02 0.48852E+01 0.37004E+01 | |
| 2057 | + 1. 0.28749E+01 0.16338E+02 0.37083E+01 | |
| 2058 | + 1. 0.11289E+01 0.76456E+01 0.37133E+01 | |
| 2059 | + 1. -0.14789E+02 0.13330E+02 0.37260E+01 | |
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| 1 | +++ a/cylslab3000.pos | |
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| 1863 | + 1. -0.10434E+02 -0.18153E+01 0.24145E+01 | |
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| 1865 | + 1. -0.10064E+02 0.78412E+01 0.24296E+01 | |
| 1866 | + 1. -0.18592E+02 -0.66910E+01 0.24375E+01 | |
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| 1870 | + 1. 0.84474E+01 0.86212E+01 0.24600E+01 | |
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| 1878 | + 1. 0.65496E+01 -0.18776E+02 0.25169E+01 | |
| 1879 | + 1. 0.18950E+02 -0.12457E+01 0.25218E+01 | |
| 1880 | + 1. -0.13383E+02 0.10000E+02 0.25303E+01 | |
| 1881 | + 1. 0.95009E+01 0.13040E+02 0.25362E+01 | |
| 1882 | + 1. -0.37418E+01 -0.16274E+02 0.25429E+01 | |
| 1883 | + 1. -0.72772E+01 0.15518E+02 0.25482E+01 | |
| 1884 | + 1. 0.53940E+01 -0.41554E+01 0.25545E+01 | |
| 1885 | + 1. 0.17853E+02 0.19790E+01 0.25620E+01 | |
| 1886 | + 1. -0.12593E+02 0.15500E+02 0.25690E+01 | |
| 1887 | + 1. 0.11761E+02 -0.52701E+01 0.25755E+01 | |
| 1888 | + 1. -0.13327E+02 -0.13437E+02 0.25835E+01 | |
| 1889 | + 1. -0.19452E+02 -0.43408E+01 0.25932E+01 | |
| 1890 | + 1. -0.65222E+01 0.41486E+01 0.25954E+01 | |
| 1891 | + 1. -0.12752E+02 -0.55963E+01 0.26010E+01 | |
| 1892 | + 1. 0.48868E+01 0.16080E+02 0.26092E+01 | |
| 1893 | + 1. 0.36768E+01 -0.14520E+02 0.26191E+01 | |
| 1894 | + 1. 0.91161E+01 0.60675E+01 0.26247E+01 | |
| 1895 | + 1. -0.94499E+01 -0.13474E+02 0.26279E+01 | |
| 1896 | + 1. -0.11019E+02 0.43284E+00 0.26394E+01 | |
| 1897 | + 1. -0.76934E+01 0.13078E+02 0.26423E+01 | |
| 1898 | + 1. -0.14997E+02 -0.20535E+01 0.26506E+01 | |
| 1899 | + 1. 0.19127E+02 -0.46016E+01 0.26534E+01 | |
| 1900 | + 1. 0.48259E+01 0.39753E+01 0.26601E+01 | |
| 1901 | + 1. -0.55020E+01 -0.99609E+01 0.26691E+01 | |
| 1902 | + 1. -0.17068E+02 0.58466E+01 0.26753E+01 | |
| 1903 | + 1. 0.15359E+02 0.40272E+01 0.26854E+01 | |
| 1904 | + 1. 0.16768E+02 0.75197E+01 0.26925E+01 | |
| 1905 | + 1. -0.15449E+02 -0.92488E+01 0.26976E+01 | |
| 1906 | + 1. 0.12123E+02 0.14075E+02 0.27036E+01 | |
| 1907 | + 1. -0.78629E+01 -0.15718E+02 0.27088E+01 | |
| 1908 | + 1. -0.91617E+01 0.99868E+01 0.27164E+01 | |
| 1909 | + 1. -0.22572E+01 0.69578E+01 0.27244E+01 | |
| 1910 | + 1. -0.15600E+02 -0.11104E+00 0.27297E+01 | |
| 1911 | + 1. 0.20344E+01 -0.10319E+02 0.27347E+01 | |
| 1912 | + 1. 0.20796E+01 -0.18884E+02 0.27410E+01 | |
| 1913 | + 1. -0.17455E+02 0.12836E+01 0.27478E+01 | |
| 1914 | + 1. -0.21358E+01 -0.98918E+01 0.27536E+01 | |
| 1915 | + 1. 0.77904E+01 -0.10075E+01 0.27642E+01 | |
| 1916 | + 1. -0.12964E+01 -0.45846E+01 0.27708E+01 | |
| 1917 | + 1. 0.42583E+00 0.17228E+02 0.27766E+01 | |
| 1918 | + 1. 0.14968E+02 -0.39824E+01 0.27842E+01 | |
| 1919 | + 1. 0.15987E+02 -0.74988E+01 0.27900E+01 | |
| 1920 | + 1. 0.18544E+02 -0.70933E+01 0.27985E+01 | |
| 1921 | + 1. -0.79387E+01 -0.97576E+01 0.28051E+01 | |
| 1922 | + 1. -0.53591E+01 -0.14809E+02 0.28105E+01 | |
| 1923 | + 1. 0.62050E+01 0.14081E+02 0.28188E+01 | |
| 1924 | + 1. -0.46828E+01 -0.19225E+02 0.28258E+01 | |
| 1925 | + 1. -0.28433E+01 0.57114E+00 0.28305E+01 | |
| 1926 | + 1. -0.88330E+00 0.99367E+01 0.28342E+01 | |
| 1927 | + 1. -0.10612E+02 0.15422E+02 0.28439E+01 | |
| 1928 | + 1. 0.20058E+01 -0.13316E+02 0.28467E+01 | |
| 1929 | + 1. 0.11445E+02 0.59065E+01 0.28546E+01 | |
| 1930 | + 1. -0.10640E+02 -0.11592E+02 0.28608E+01 | |
| 1931 | + 1. 0.71881E+01 -0.14586E+02 0.28694E+01 | |
| 1932 | + 1. -0.18809E+02 -0.33211E+00 0.28767E+01 | |
| 1933 | + 1. -0.15019E+02 0.11504E+02 0.28857E+01 | |
| 1934 | + 1. 0.97087E+01 0.10453E+02 0.28926E+01 | |
| 1935 | + 1. 0.82465E+01 -0.12651E+02 0.28951E+01 | |
| 1936 | + 1. -0.15697E+02 -0.46430E+01 0.29006E+01 | |
| 1937 | + 1. 0.99166E+01 -0.16735E+02 0.29094E+01 | |
| 1938 | + 1. 0.14821E+02 0.70569E+01 0.29161E+01 | |
| 1939 | + 1. -0.21396E+01 0.19875E+02 0.29260E+01 | |
| 1940 | + 1. 0.62990E+01 0.90152E+01 0.29321E+01 | |
| 1941 | + 1. 0.52390E+00 -0.17279E+02 0.29369E+01 | |
| 1942 | + 1. 0.28061E+00 -0.11455E+02 0.29439E+01 | |
| 1943 | + 1. 0.13198E+02 -0.10737E+02 0.29480E+01 | |
| 1944 | + 1. -0.18494E+01 -0.14729E+02 0.29568E+01 | |
| 1945 | + 1. -0.60073E+01 0.11908E+02 0.29665E+01 | |
| 1946 | + 1. 0.15733E+02 0.97219E+00 0.29675E+01 | |
| 1947 | + 1. -0.15228E+02 -0.11621E+02 0.29779E+01 | |
| 1948 | + 1. -0.11354E+02 0.24404E+01 0.29850E+01 | |
| 1949 | + 1. 0.81726E+01 -0.56397E+01 0.29873E+01 | |
| 1950 | + 1. 0.95693E+01 -0.20185E+01 0.29938E+01 | |
| 1951 | + 1. -0.19876E+01 0.14623E+02 0.30034E+01 | |
| 1952 | + 1. 0.27537E+01 0.19773E+02 0.30078E+01 | |
| 1953 | + 1. -0.11882E+02 0.45864E+01 0.30166E+01 | |
| 1954 | + 1. 0.28131E+01 0.10155E+02 0.30265E+01 | |
| 1955 | + 1. -0.12530E+02 -0.15239E+02 0.30332E+01 | |
| 1956 | + 1. 0.10098E+02 -0.65581E+01 0.30386E+01 | |
| 1957 | + 1. -0.90779E+01 0.11031E+01 0.30418E+01 | |
| 1958 | + 1. -0.32689E+01 -0.79323E+01 0.30490E+01 | |
| 1959 | + 1. 0.33186E+01 0.70269E+01 0.30573E+01 | |
| 1960 | + 1. -0.11569E+02 -0.80732E+01 0.30621E+01 | |
| 1961 | + 1. 0.60583E+01 -0.63004E+01 0.30710E+01 | |
| 1962 | + 1. -0.62785E+01 -0.29723E+01 0.30755E+01 | |
| 1963 | + 1. 0.21201E+01 0.23203E+01 0.30840E+01 | |
| 1964 | + 1. 0.26479E+01 -0.50621E+01 0.30920E+01 | |
| 1965 | + 1. 0.13124E+02 -0.13727E+02 0.30960E+01 | |
| 1966 | + 1. -0.80884E+01 0.78197E+01 0.31011E+01 | |
| 1967 | + 1. 0.13312E+01 0.14733E+02 0.31070E+01 | |
| 1968 | + 1. -0.13106E+02 0.80749E+01 0.31149E+01 | |
| 1969 | + 1. 0.43977E+01 -0.10069E+02 0.31219E+01 | |
| 1970 | + 1. 0.13356E+02 -0.24245E+01 0.31330E+01 | |
| 1971 | + 1. 0.19854E+02 0.11587E+01 0.31337E+01 | |
| 1972 | + 1. 0.15841E+02 -0.10885E+02 0.31444E+01 | |
| 1973 | + 1. -0.83532E+01 0.17922E+02 0.31475E+01 | |
| 1974 | + 1. 0.13449E+02 -0.67740E+01 0.31564E+01 | |
| 1975 | + 1. 0.10144E+02 0.16785E+02 0.31627E+01 | |
| 1976 | + 1. 0.93468E+01 0.13062E+01 0.31723E+01 | |
| 1977 | + 1. 0.86329E+01 -0.86652E+01 0.31765E+01 | |
| 1978 | + 1. -0.85711E+01 -0.78868E+01 0.31820E+01 | |
| 1979 | + 1. 0.50200E+00 -0.10723E+01 0.31893E+01 | |
| 1980 | + 1. -0.13357E+02 0.25404E+01 0.31999E+01 | |
| 1981 | + 1. -0.12382E+02 -0.14741E+01 0.32064E+01 | |
| 1982 | + 1. -0.51129E+01 0.97384E+01 0.32096E+01 | |
| 1983 | + 1. -0.96108E+01 0.12566E+02 0.32196E+01 | |
| 1984 | + 1. 0.21073E+01 0.12568E+02 0.32235E+01 | |
| 1985 | + 1. -0.26028E+01 -0.26405E+01 0.32274E+01 | |
| 1986 | + 1. -0.22651E+00 0.43610E+01 0.32362E+01 | |
| 1987 | + 1. 0.93359E+01 -0.14602E+02 0.32405E+01 | |
| 1988 | + 1. 0.50355E+01 -0.12255E+01 0.32488E+01 | |
| 1989 | + 1. -0.17168E+02 -0.10163E+02 0.32544E+01 | |
| 1990 | + 1. 0.16435E+02 -0.12161E+01 0.32649E+01 | |
| 1991 | + 1. 0.11286E+02 0.11891E+02 0.32689E+01 | |
| 1992 | + 1. -0.86888E+00 -0.19865E+02 0.32787E+01 | |
| 1993 | + 1. -0.11804E+02 0.12386E+02 0.32816E+01 | |
| 1994 | + 1. -0.84513E+01 -0.18010E+02 0.32871E+01 | |
| 1995 | + 1. 0.18722E+02 0.67674E+01 0.32952E+01 | |
| 1996 | + 1. -0.66976E+01 -0.61500E+01 0.33031E+01 | |
| 1997 | + 1. -0.44618E+01 0.17063E+02 0.33103E+01 | |
| 1998 | + 1. -0.14171E+02 -0.68801E+01 0.33195E+01 | |
| 1999 | + 1. 0.94226E+01 0.14919E+02 0.33221E+01 | |
| 2000 | + 1. -0.11480E+02 0.99443E+01 0.33306E+01 | |
| 2001 | + 1. -0.34928E+01 0.24126E+01 0.33398E+01 | |
| 2002 | + 1. 0.19069E+00 -0.15341E+02 0.33433E+01 | |
| 2003 | + 1. 0.11446E+02 0.84671E+01 0.33469E+01 | |
| 2004 | + 1. 0.68542E+01 0.67636E+01 0.33572E+01 | |
| 2005 | + 1. -0.71807E-01 -0.77101E+01 0.33610E+01 | |
| 2006 | + 1. 0.10614E+02 0.30148E+01 0.33719E+01 | |
| 2007 | + 1. -0.32618E+01 -0.58775E+01 0.33775E+01 | |
| 2008 | + 1. -0.38065E+01 -0.10974E+02 0.33828E+01 | |
| 2009 | + 1. -0.85089E+01 -0.30943E+01 0.33873E+01 | |
| 2010 | + 1. 0.54609E+01 -0.13576E+02 0.33964E+01 | |
| 2011 | + 1. -0.18621E+02 0.69901E+01 0.34041E+01 | |
| 2012 | + 1. 0.35582E+01 -0.17216E+02 0.34110E+01 | |
| 2013 | + 1. -0.12092E+02 -0.10155E+02 0.34137E+01 | |
| 2014 | + 1. 0.79815E+01 0.39831E+01 0.34257E+01 | |
| 2015 | + 1. 0.72104E+01 0.10749E+02 0.34307E+01 | |
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| 2017 | + 1. -0.16964E+02 -0.80348E+01 0.34422E+01 | |
| 2018 | + 1. 0.35876E+01 -0.28444E+01 0.34523E+01 | |
| 2019 | + 1. 0.49800E-01 0.13609E+01 0.34560E+01 | |
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| 2024 | + 1. -0.14756E+02 0.55716E+01 0.34882E+01 | |
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| 2027 | + 1. -0.88465E+01 0.37619E+01 0.35103E+01 | |
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| 2948 | + 1. 0.15972E+01 0.18040E+02 0.96511E+01 | |
| 2949 | + 1. 0.10551E+02 0.73303E+01 0.96585E+01 | |
| 2950 | + 1. 0.14278E+02 -0.33016E+01 0.96627E+01 | |
| 2951 | + 1. -0.12282E+00 0.33089E+01 0.96702E+01 | |
| 2952 | + 1. -0.96634E+01 -0.55717E+01 0.96750E+01 | |
| 2953 | + 1. 0.70241E+01 0.95811E+01 0.96836E+01 | |
| 2954 | + 1. 0.50711E+01 0.59407E+00 0.96930E+01 | |
| 2955 | + 1. -0.58938E+01 -0.14641E+02 0.96963E+01 | |
| 2956 | + 1. -0.13228E+02 -0.79932E+01 0.97007E+01 | |
| 2957 | + 1. -0.16326E+02 0.64602E+01 0.97121E+01 | |
| 2958 | + 1. -0.11326E+02 -0.15860E+02 0.97191E+01 | |
| 2959 | + 1. -0.13775E+02 0.14410E+02 0.97248E+01 | |
| 2960 | + 1. -0.12094E+02 -0.42679E+01 0.97269E+01 | |
| 2961 | + 1. -0.23223E+01 0.84320E-02 0.97381E+01 | |
| 2962 | + 1. 0.41375E+00 -0.12887E+02 0.97446E+01 | |
| 2963 | + 1. -0.14077E+01 0.16111E+02 0.97513E+01 | |
| 2964 | + 1. -0.41466E+01 0.16942E+02 0.97548E+01 | |
| 2965 | + 1. 0.12822E+02 -0.50795E+01 0.97659E+01 | |
| 2966 | + 1. -0.97512E+00 -0.19447E+02 0.97689E+01 | |
| 2967 | + 1. -0.12576E+02 0.65046E+01 0.97788E+01 | |
| 2968 | + 1. -0.14408E+02 0.90919E+01 0.97804E+01 | |
| 2969 | + 1. -0.85749E+01 -0.19920E+01 0.97920E+01 | |
| 2970 | + 1. -0.14501E+02 0.53353E+01 0.97952E+01 | |
| 2971 | + 1. 0.10518E+02 0.52865E+01 0.98027E+01 | |
| 2972 | + 1. 0.86208E+01 0.81712E+01 0.98129E+01 | |
| 2973 | + 1. -0.34374E+01 0.40442E+01 0.98198E+01 | |
| 2974 | + 1. 0.19050E+02 0.53330E+01 0.98242E+01 | |
| 2975 | + 1. 0.46557E+01 -0.50319E+01 0.98298E+01 | |
| 2976 | + 1. 0.18167E+02 -0.75301E+01 0.98390E+01 | |
| 2977 | + 1. -0.15235E+01 -0.47868E+01 0.98443E+01 | |
| 2978 | + 1. -0.83172E+01 0.12299E+02 0.98484E+01 | |
| 2979 | + 1. 0.14366E+02 -0.10592E+02 0.98551E+01 | |
| 2980 | + 1. 0.36922E+01 -0.18330E+02 0.98641E+01 | |
| 2981 | + 1. -0.60953E+01 0.91315E+01 0.98733E+01 | |
| 2982 | + 1. -0.17199E+02 -0.21445E+01 0.98795E+01 | |
| 2983 | + 1. 0.84098E+01 -0.11618E+02 0.98826E+01 | |
| 2984 | + 1. -0.57023E+01 -0.19010E+02 0.98888E+01 | |
| 2985 | + 1. 0.85363E+01 0.15040E+02 0.98954E+01 | |
| 2986 | + 1. -0.16991E+02 0.27072E+00 0.99043E+01 | |
| 2987 | + 1. 0.14573E+02 -0.13492E+02 0.99107E+01 | |
| 2988 | + 1. 0.13045E+02 0.74086E+01 0.99198E+01 | |
| 2989 | + 1. 0.19066E+02 -0.15403E+01 0.99205E+01 | |
| 2990 | + 1. 0.13229E+01 0.48428E+01 0.99269E+01 | |
| 2991 | + 1. -0.28709E+00 -0.89428E+01 0.99370E+01 | |
| 2992 | + 1. -0.18864E+02 0.65966E+01 0.99441E+01 | |
| 2993 | + 1. -0.43471E+01 -0.13196E+02 0.99473E+01 | |
| 2994 | + 1. -0.12647E+02 -0.11787E+02 0.99568E+01 | |
| 2995 | + 1. -0.47721E+01 -0.10785E+02 0.99631E+01 | |
| 2996 | + 1. 0.14267E+02 0.28735E+01 0.99670E+01 | |
| 2997 | + 1. 0.40853E+01 -0.10600E+02 0.99797E+01 | |
| 2998 | + 1. -0.71554E+00 0.86857E+01 0.99816E+01 | |
| 2999 | + 1. 0.10411E+02 0.24616E+01 0.99929E+01 | |
| 3000 | + 1. -0.10791E+02 0.44438E+01 0.99945E+01 | ... | ... |
| 1 | +++ a/etaGold.txt | |
| 1 | +lambda n k | |
| 2 | +1.937 0.92 13.78 | |
| 3 | +1.610 0.56 11.21 | |
| 4 | +1.393 0.43 9.519 | |
| 5 | +1.216 0.35 8.145 | |
| 6 | +1.088 0.27 7.150 | |
| 7 | +0.9840 0.22 6.350 | |
| 8 | +0.8920 0.17 5.663 | |
| 9 | +0.8211 0.16 5.083 | |
| 10 | +0.7560 0.14 4.542 | |
| 11 | +0.7045 0.13 4.103 | |
| 12 | +0.6595 0.14 3.697 | |
| 13 | +0.6168 0.21 3.272 | |
| 14 | +0.5821 0.29 2.863 | |
| 15 | +0.5486 0.43 2.455 | |
| 16 | +0.5209 0.62 2.081 | |
| 17 | +0.4959 1.04 1.833 | |
| 18 | +0.4714 1.31 1.849 | |
| 19 | +0.4509 1.38 1.914 | |
| 20 | +0.4305 1.45 1.948 | |
| 21 | +0.4133 1.46 1.958 | |
| 22 | +0.3974 1.47 1.952 | |
| 23 | +0.3815 1.46 1.933 | |
| 24 | +0.3679 1.48 1.895 | |
| 25 | +0.3542 1.50 1.866 | |
| 26 | +0.3425 1.48 1.871 | |
| 27 | +0.3315 1.48 1.883 | |
| 28 | +0.3204 1.54 1.898 | |
| 29 | +0.3107 1.53 1.893 | |
| 30 | +0.3009 1.53 1.889 | |
| 31 | +0.2924 1.49 1.878 | |
| 32 | +0.2844 1.47 1.869 | |
| 33 | +0.2761 1.43 1.847 | |
| 34 | +0.2689 1.38 1.803 | |
| 35 | +0.2616 1.35 1.749 | |
| 36 | +0.2551 1.33 1.688 | |
| 37 | +0.2490 1.33 1.631 | |
| 38 | +0.2426 1.32 1.577 | |
| 39 | +0.2371 1.32 1.536 | |
| 40 | +0.2313 1.30 1.497 | |
| 41 | +0.2262 1.31 1.460 | |
| 42 | +0.2214 1.30 1.427 | |
| 43 | +0.2164 1.30 1.387 | |
| 44 | +0.2119 1.30 1.350 | |
| 45 | +0.2073 1.30 1.304 | |
| 46 | +0.2033 1.33 1.277 | |
| 47 | +0.1993 1.33 1.251 | |
| 48 | +0.1953 1.34 1.226 | |
| 49 | +0.1916 1.32 1.203 | |
| 50 | +0.1879 1.28 1.188 | ... | ... |
| 1 | +++ a/etaSilver.txt | |
| 1 | +lambda n k | |
| 2 | +1.937 0.24 14.08 | |
| 3 | +1.610 0.15 11.85 | |
| 4 | +1.393 0.13 10.10 | |
| 5 | +1.216 0.09 8.828 | |
| 6 | +1.088 0.04 7.795 | |
| 7 | +0.9840 0.04 6.992 | |
| 8 | +0.8920 0.04 6.312 | |
| 9 | +0.8211 0.04 5.727 | |
| 10 | +0.7560 0.03 5.242 | |
| 11 | +0.7045 0.04 4.838 | |
| 12 | +0.6595 0.05 4.483 | |
| 13 | +0.6168 0.06 4.152 | |
| 14 | +0.5821 0.05 3.858 | |
| 15 | +0.5486 0.06 3.586 | |
| 16 | +0.5209 0.05 3.324 | |
| 17 | +0.4959 0.05 3.093 | |
| 18 | +0.4714 0.05 2.869 | |
| 19 | +0.4509 0.04 2.657 | |
| 20 | +0.4305 0.04 2.462 | |
| 21 | +0.4133 0.05 2.275 | |
| 22 | +0.3974 0.05 2.070 | |
| 23 | +0.3815 0.05 1.864 | |
| 24 | +0.3679 0.07 1.657 | |
| 25 | +0.3542 0.10 1.419 | |
| 26 | +0.3425 0.14 1.142 | |
| 27 | +0.3315 0.17 0.829 | |
| 28 | +0.3204 0.81 0.392 | |
| 29 | +0.3107 1.13 0.616 | |
| 30 | +0.3009 1.34 0.964 | |
| 31 | +0.2924 1.39 1.161 | |
| 32 | +0.2844 1.41 1.264 | |
| 33 | +0.2761 1.41 1.331 | |
| 34 | +0.2689 1.38 1.372 | |
| 35 | +0.2616 1.35 1.387 | |
| 36 | +0.2551 1.33 1.393 | |
| 37 | +0.2490 1.31 1.389 | |
| 38 | +0.2426 1.30 1.378 | |
| 39 | +0.2371 1.28 1.367 | |
| 40 | +0.2313 1.28 1.357 | |
| 41 | +0.2262 1.26 1.344 | |
| 42 | +0.2214 1.25 1.342 | |
| 43 | +0.2164 1.22 1.336 | |
| 44 | +0.2119 1.20 1.325 | |
| 45 | +0.2073 1.18 1.312 | |
| 46 | +0.2033 1.15 1.296 | |
| 47 | +0.1993 1.14 1.277 | |
| 48 | +0.1953 1.12 1.255 | |
| 49 | +0.1916 1.10 1.232 | |
| 50 | +0.1879 1.07 1.212 | |
| 0 | 51 | \ No newline at end of file | ... | ... |
| 1 | +++ a/mpidefs-parallel.f90 | |
| 1 | +! | |
| 2 | +! MPI alias definitions for parallel machines. | |
| 3 | +! | |
| 4 | +! | |
| 5 | +! last revised: 15 January 2011 | |
| 6 | +! | |
| 7 | + module mpidefs | |
| 8 | + use mpi | |
| 9 | + implicit none | |
| 10 | + integer :: ms_mpi_comm_world,ms_mpi_sum,ms_mpi_max,ms_mpi_min | |
| 11 | + | |
| 12 | + contains | |
| 13 | + | |
| 14 | + subroutine ms_mpi(mpi_command,mpi_recv_buf_i,mpi_recv_buf_r,mpi_recv_buf_c,mpi_recv_buf_dp, & | |
| 15 | + mpi_recv_buf_dc,mpi_send_buf_i,mpi_send_buf_r,mpi_send_buf_c, & | |
| 16 | + mpi_send_buf_dp,mpi_send_buf_dc,mpi_number,mpi_comm,mpi_group,mpi_rank,mpi_size,& | |
| 17 | + mpi_new_comm,mpi_new_group,mpi_new_group_list,mpi_operation) | |
| 18 | + integer, optional :: mpi_number,mpi_recv_buf_i(*),mpi_send_buf_i(*),mpi_comm,mpi_group,mpi_rank, & | |
| 19 | + mpi_size,mpi_new_comm,mpi_new_group,mpi_new_group_list(*),mpi_operation | |
| 20 | + integer :: stat(MPI_STATUS_SIZE) | |
| 21 | + real(4), optional :: mpi_recv_buf_r(*),mpi_send_buf_r(*) | |
| 22 | + real(8), optional :: mpi_recv_buf_dp(*),mpi_send_buf_dp(*) | |
| 23 | + complex(4), optional :: mpi_recv_buf_c(*),mpi_send_buf_c(*) | |
| 24 | + complex(8), optional :: mpi_recv_buf_dc(*),mpi_send_buf_dc(*) | |
| 25 | + character(*) :: mpi_command | |
| 26 | + integer :: type,ierr,comm,size,rank,group,newcomm | |
| 27 | + | |
| 28 | + if(mpi_command.eq.'init') then | |
| 29 | + call mpi_init(ierr) | |
| 30 | + ms_mpi_comm_world=mpi_comm_world | |
| 31 | + ms_mpi_sum=mpi_sum | |
| 32 | + ms_mpi_max=mpi_max | |
| 33 | + ms_mpi_min=mpi_min | |
| 34 | + return | |
| 35 | + endif | |
| 36 | + if(mpi_command.eq.'finalize') then | |
| 37 | + call mpi_finalize(ierr) | |
| 38 | + return | |
| 39 | + endif | |
| 40 | + if(present(mpi_comm)) then | |
| 41 | + comm=mpi_comm | |
| 42 | + else | |
| 43 | + comm=mpi_comm_world | |
| 44 | + endif | |
| 45 | + if(mpi_command.eq.'size') then | |
| 46 | + call mpi_comm_size(comm,size,ierr) | |
| 47 | + mpi_size=size | |
| 48 | + return | |
| 49 | + endif | |
| 50 | + if(mpi_command.eq.'rank') then | |
| 51 | + call mpi_comm_rank(comm,rank,ierr) | |
| 52 | + mpi_rank=rank | |
| 53 | + return | |
| 54 | + endif | |
| 55 | + if(mpi_command.eq.'group') then | |
| 56 | + call mpi_comm_group(comm,group,ierr) | |
| 57 | + mpi_group=group | |
| 58 | + return | |
| 59 | + endif | |
| 60 | + if(mpi_command.eq.'incl') then | |
| 61 | + call mpi_group_incl(mpi_group,mpi_size,mpi_new_group_list,group,ierr) | |
| 62 | + mpi_new_group=group | |
| 63 | + return | |
| 64 | + endif | |
| 65 | + if(mpi_command.eq.'create') then | |
| 66 | + call mpi_comm_create(comm,mpi_group,newcomm,ierr) | |
| 67 | + mpi_new_comm=newcomm | |
| 68 | + return | |
| 69 | + endif | |
| 70 | + if(mpi_command.eq.'barrier') then | |
| 71 | + call mpi_barrier (comm,ierr) | |
| 72 | + return | |
| 73 | + endif | |
| 74 | + | |
| 75 | + if(present(mpi_recv_buf_i).or.present(mpi_send_buf_i)) then | |
| 76 | + type=mpi_integer | |
| 77 | + if(mpi_command.eq.'bcast') then | |
| 78 | + call MPI_BCAST (mpi_send_buf_i,mpi_number,type,mpi_rank,comm,ierr) | |
| 79 | + return | |
| 80 | + endif | |
| 81 | + if(mpi_command.eq.'send') then | |
| 82 | + call mpi_send(mpi_send_buf_i,mpi_number,type,mpi_rank,1,comm,ierr) | |
| 83 | + return | |
| 84 | + endif | |
| 85 | + if(mpi_command.eq.'recv') then | |
| 86 | + call mpi_recv(mpi_recv_buf_i,mpi_number,type,mpi_rank,1,comm,stat,ierr) | |
| 87 | + return | |
| 88 | + endif | |
| 89 | + if(mpi_command.eq.'reduce') then | |
| 90 | + if(present(mpi_send_buf_i)) then | |
| 91 | + call mpi_reduce(mpi_send_buf_i,mpi_recv_buf_i,mpi_number,type,mpi_operation, & | |
| 92 | + mpi_rank,comm,ierr) | |
| 93 | + else | |
| 94 | + call mpi_reduce(mpi_in_place,mpi_recv_buf_i,mpi_number,type,mpi_operation, & | |
| 95 | + mpi_rank,comm,ierr) | |
| 96 | + endif | |
| 97 | + return | |
| 98 | + endif | |
| 99 | + if(mpi_command.eq.'allreduce') then | |
| 100 | + if(present(mpi_send_buf_i)) then | |
| 101 | + call mpi_allreduce(mpi_send_buf_i,mpi_recv_buf_i,mpi_number,type,mpi_operation, & | |
| 102 | + comm,ierr) | |
| 103 | + else | |
| 104 | + call mpi_allreduce(mpi_in_place,mpi_recv_buf_i,mpi_number,type,mpi_operation, & | |
| 105 | + comm,ierr) | |
| 106 | + endif | |
| 107 | + return | |
| 108 | + endif | |
| 109 | + endif | |
| 110 | + | |
| 111 | + if(present(mpi_recv_buf_r).or.present(mpi_send_buf_r)) then | |
| 112 | + type=mpi_real | |
| 113 | + if(mpi_command.eq.'bcast') then | |
| 114 | + call MPI_BCAST (mpi_send_buf_r,mpi_number,type,mpi_rank,comm,ierr) | |
| 115 | + return | |
| 116 | + endif | |
| 117 | + if(mpi_command.eq.'send') then | |
| 118 | + call mpi_send(mpi_send_buf_r,mpi_number,type,mpi_rank,1,comm,ierr) | |
| 119 | + return | |
| 120 | + endif | |
| 121 | + if(mpi_command.eq.'recv') then | |
| 122 | + call mpi_recv(mpi_recv_buf_r,mpi_number,type,mpi_rank,1,comm,stat,ierr) | |
| 123 | + return | |
| 124 | + endif | |
| 125 | + if(mpi_command.eq.'reduce') then | |
| 126 | + if(present(mpi_send_buf_r)) then | |
| 127 | + call mpi_reduce(mpi_send_buf_r,mpi_recv_buf_r,mpi_number,type,mpi_operation, & | |
| 128 | + mpi_rank,comm,ierr) | |
| 129 | + else | |
| 130 | + call mpi_reduce(mpi_in_place,mpi_recv_buf_r,mpi_number,type,mpi_operation, & | |
| 131 | + mpi_rank,comm,ierr) | |
| 132 | + endif | |
| 133 | + return | |
| 134 | + endif | |
| 135 | + if(mpi_command.eq.'allreduce') then | |
| 136 | + if(present(mpi_send_buf_r)) then | |
| 137 | + call mpi_allreduce(mpi_send_buf_r,mpi_recv_buf_r,mpi_number,type,mpi_operation, & | |
| 138 | + comm,ierr) | |
| 139 | + else | |
| 140 | + call mpi_allreduce(mpi_in_place,mpi_recv_buf_r,mpi_number,type,mpi_operation, & | |
| 141 | + comm,ierr) | |
| 142 | + endif | |
| 143 | + return | |
| 144 | + endif | |
| 145 | + endif | |
| 146 | + | |
| 147 | + if(present(mpi_recv_buf_c).or.present(mpi_send_buf_c)) then | |
| 148 | + type=mpi_complex | |
| 149 | + if(mpi_command.eq.'bcast') then | |
| 150 | + call MPI_BCAST (mpi_send_buf_c,mpi_number,type,mpi_rank,comm,ierr) | |
| 151 | + return | |
| 152 | + endif | |
| 153 | + if(mpi_command.eq.'send') then | |
| 154 | + call mpi_send(mpi_send_buf_c,mpi_number,type,mpi_rank,1,comm,ierr) | |
| 155 | + return | |
| 156 | + endif | |
| 157 | + if(mpi_command.eq.'recv') then | |
| 158 | + call mpi_recv(mpi_recv_buf_c,mpi_number,type,mpi_rank,1,comm,stat,ierr) | |
| 159 | + return | |
| 160 | + endif | |
| 161 | + if(mpi_command.eq.'reduce') then | |
| 162 | + if(present(mpi_send_buf_c)) then | |
| 163 | + call mpi_reduce(mpi_send_buf_c,mpi_recv_buf_c,mpi_number,type,mpi_operation, & | |
| 164 | + mpi_rank,comm,ierr) | |
| 165 | + else | |
| 166 | + call mpi_reduce(mpi_in_place,mpi_recv_buf_c,mpi_number,type,mpi_operation, & | |
| 167 | + mpi_rank,comm,ierr) | |
| 168 | + endif | |
| 169 | + return | |
| 170 | + endif | |
| 171 | + if(mpi_command.eq.'allreduce') then | |
| 172 | + if(present(mpi_send_buf_c)) then | |
| 173 | + call mpi_allreduce(mpi_send_buf_c,mpi_recv_buf_c,mpi_number,type,mpi_operation, & | |
| 174 | + comm,ierr) | |
| 175 | + else | |
| 176 | + call mpi_allreduce(mpi_in_place,mpi_recv_buf_c,mpi_number,type,mpi_operation, & | |
| 177 | + comm,ierr) | |
| 178 | + endif | |
| 179 | + return | |
| 180 | + endif | |
| 181 | + endif | |
| 182 | + | |
| 183 | + if(present(mpi_recv_buf_dp).or.present(mpi_send_buf_dp)) then | |
| 184 | + type=mpi_double_precision | |
| 185 | + if(mpi_command.eq.'bcast') then | |
| 186 | + call MPI_BCAST (mpi_send_buf_dp,mpi_number,type,mpi_rank,comm,ierr) | |
| 187 | + return | |
| 188 | + endif | |
| 189 | + if(mpi_command.eq.'send') then | |
| 190 | + call mpi_send(mpi_send_buf_dp,mpi_number,type,mpi_rank,1,comm,ierr) | |
| 191 | + return | |
| 192 | + endif | |
| 193 | + if(mpi_command.eq.'recv') then | |
| 194 | + call mpi_recv(mpi_recv_buf_dp,mpi_number,type,mpi_rank,1,comm,stat,ierr) | |
| 195 | + return | |
| 196 | + endif | |
| 197 | + if(mpi_command.eq.'reduce') then | |
| 198 | + if(present(mpi_send_buf_dp)) then | |
| 199 | + call mpi_reduce(mpi_send_buf_dp,mpi_recv_buf_dp,mpi_number,type,mpi_operation, & | |
| 200 | + mpi_rank,comm,ierr) | |
| 201 | + else | |
| 202 | + call mpi_reduce(mpi_in_place,mpi_recv_buf_dp,mpi_number,type,mpi_operation, & | |
| 203 | + mpi_rank,comm,ierr) | |
| 204 | + endif | |
| 205 | + return | |
| 206 | + endif | |
| 207 | + if(mpi_command.eq.'allreduce') then | |
| 208 | + if(present(mpi_send_buf_dp)) then | |
| 209 | + call mpi_allreduce(mpi_send_buf_dp,mpi_recv_buf_dp,mpi_number,type,mpi_operation, & | |
| 210 | + comm,ierr) | |
| 211 | + else | |
| 212 | + call mpi_allreduce(mpi_in_place,mpi_recv_buf_dp,mpi_number,type,mpi_operation, & | |
| 213 | + comm,ierr) | |
| 214 | + endif | |
| 215 | + return | |
| 216 | + endif | |
| 217 | + endif | |
| 218 | + | |
| 219 | + if(present(mpi_recv_buf_dc).or.present(mpi_send_buf_dc)) then | |
| 220 | + type=mpi_double_complex | |
| 221 | + if(mpi_command.eq.'bcast') then | |
| 222 | + call MPI_BCAST (mpi_send_buf_dc,mpi_number,type,mpi_rank,comm,ierr) | |
| 223 | + return | |
| 224 | + endif | |
| 225 | + if(mpi_command.eq.'send') then | |
| 226 | + call mpi_send(mpi_send_buf_dc,mpi_number,type,mpi_rank,1,comm,ierr) | |
| 227 | + return | |
| 228 | + endif | |
| 229 | + if(mpi_command.eq.'recv') then | |
| 230 | + call mpi_recv(mpi_recv_buf_dc,mpi_number,type,mpi_rank,1,comm,stat,ierr) | |
| 231 | + return | |
| 232 | + endif | |
| 233 | + if(mpi_command.eq.'reduce') then | |
| 234 | + if(present(mpi_send_buf_dc)) then | |
| 235 | + call mpi_reduce(mpi_send_buf_dc,mpi_recv_buf_dc,mpi_number,type,mpi_operation, & | |
| 236 | + mpi_rank,comm,ierr) | |
| 237 | + else | |
| 238 | + call mpi_reduce(mpi_in_place,mpi_recv_buf_dc,mpi_number,type,mpi_operation, & | |
| 239 | + mpi_rank,comm,ierr) | |
| 240 | + endif | |
| 241 | + return | |
| 242 | + endif | |
| 243 | + if(mpi_command.eq.'allreduce') then | |
| 244 | + if(present(mpi_send_buf_dc)) then | |
| 245 | + call mpi_allreduce(mpi_send_buf_dc,mpi_recv_buf_dc,mpi_number,type,mpi_operation, & | |
| 246 | + comm,ierr) | |
| 247 | + else | |
| 248 | + call mpi_allreduce(mpi_in_place,mpi_recv_buf_dc,mpi_number,type,mpi_operation, & | |
| 249 | + comm,ierr) | |
| 250 | + endif | |
| 251 | + return | |
| 252 | + endif | |
| 253 | + endif | |
| 254 | + | |
| 255 | + end subroutine ms_mpi | |
| 256 | + end module mpidefs | ... | ... |
| 1 | +++ a/mpidefs-serial.f90 | |
| 1 | +! | |
| 2 | +! MPI alias definitions for serial machines. | |
| 3 | +! | |
| 4 | +! | |
| 5 | +! last revised: 15 January 2011 | |
| 6 | +! | |
| 7 | + module mpidefs | |
| 8 | + implicit none | |
| 9 | + integer :: mpi_comm_world,ms_mpi_comm_world,ms_mpi_sum,ms_mpi_max,ms_mpi_min | |
| 10 | + | |
| 11 | + contains | |
| 12 | + | |
| 13 | + subroutine ms_mpi(mpi_command,mpi_recv_buf_i,mpi_recv_buf_r,mpi_recv_buf_c,mpi_recv_buf_dp, & | |
| 14 | + mpi_recv_buf_dc,mpi_send_buf_i,mpi_send_buf_r,mpi_send_buf_c, & | |
| 15 | + mpi_send_buf_dp,mpi_send_buf_dc,mpi_number,mpi_comm,mpi_group,mpi_rank,mpi_size, & | |
| 16 | + mpi_new_comm,mpi_new_group,mpi_new_group_list,mpi_operation) | |
| 17 | + integer, optional :: mpi_number,mpi_recv_buf_i(*),mpi_send_buf_i(*),mpi_comm,mpi_group,mpi_rank, & | |
| 18 | + mpi_size,mpi_new_comm,mpi_new_group,mpi_new_group_list(*),mpi_operation | |
| 19 | + integer :: stat(1) | |
| 20 | + real(4), optional :: mpi_recv_buf_r(*),mpi_send_buf_r(*) | |
| 21 | + real(8), optional :: mpi_recv_buf_dp(*),mpi_send_buf_dp(*) | |
| 22 | + complex(4), optional :: mpi_recv_buf_c(*),mpi_send_buf_c(*) | |
| 23 | + complex(8), optional :: mpi_recv_buf_dc(*),mpi_send_buf_dc(*) | |
| 24 | + character(*) :: mpi_command | |
| 25 | + integer :: type,ierr,comm,size,rank,group,newcomm | |
| 26 | + | |
| 27 | + if(mpi_command.eq.'init') then | |
| 28 | + mpi_comm_world=1 | |
| 29 | + return | |
| 30 | + endif | |
| 31 | + if(mpi_command.eq.'finalize') then | |
| 32 | + return | |
| 33 | + endif | |
| 34 | + if(present(mpi_comm)) then | |
| 35 | + comm=mpi_comm | |
| 36 | + else | |
| 37 | + comm=mpi_comm_world | |
| 38 | + endif | |
| 39 | + if(mpi_command.eq.'size') then | |
| 40 | + mpi_size=1 | |
| 41 | + return | |
| 42 | + endif | |
| 43 | + if(mpi_command.eq.'rank') then | |
| 44 | + mpi_rank=0 | |
| 45 | + return | |
| 46 | + endif | |
| 47 | + if(mpi_command.eq.'group') then | |
| 48 | + return | |
| 49 | + endif | |
| 50 | + if(mpi_command.eq.'incl') then | |
| 51 | + mpi_new_group=0 | |
| 52 | + return | |
| 53 | + endif | |
| 54 | + if(mpi_command.eq.'create') then | |
| 55 | + mpi_new_comm=1 | |
| 56 | + return | |
| 57 | + endif | |
| 58 | + if(mpi_command.eq.'barrier') then | |
| 59 | + return | |
| 60 | + endif | |
| 61 | + | |
| 62 | + if(present(mpi_recv_buf_i).or.present(mpi_send_buf_i)) then | |
| 63 | + if(mpi_command.eq.'bcast'.or.mpi_command.eq.'send'.or.mpi_command.eq.'recv') then | |
| 64 | + return | |
| 65 | + endif | |
| 66 | + if(mpi_command.eq.'reduce'.or.mpi_command.eq.'allreduce') then | |
| 67 | + if(present(mpi_send_buf_i)) then | |
| 68 | + mpi_recv_buf_i(1:mpi_number)=mpi_send_buf_i(1:mpi_number) | |
| 69 | + endif | |
| 70 | + endif | |
| 71 | + return | |
| 72 | + endif | |
| 73 | + | |
| 74 | + if(present(mpi_recv_buf_r).or.present(mpi_send_buf_r)) then | |
| 75 | + if(mpi_command.eq.'bcast'.or.mpi_command.eq.'send'.or.mpi_command.eq.'recv') then | |
| 76 | + return | |
| 77 | + endif | |
| 78 | + if(mpi_command.eq.'reduce'.or.mpi_command.eq.'allreduce') then | |
| 79 | + if(present(mpi_send_buf_r)) then | |
| 80 | + mpi_recv_buf_r(1:mpi_number)=mpi_send_buf_r(1:mpi_number) | |
| 81 | + endif | |
| 82 | + endif | |
| 83 | + return | |
| 84 | + endif | |
| 85 | + | |
| 86 | + if(present(mpi_recv_buf_c).or.present(mpi_send_buf_c)) then | |
| 87 | + if(mpi_command.eq.'bcast'.or.mpi_command.eq.'send'.or.mpi_command.eq.'recv') then | |
| 88 | + return | |
| 89 | + endif | |
| 90 | + if(mpi_command.eq.'reduce'.or.mpi_command.eq.'allreduce') then | |
| 91 | + if(present(mpi_send_buf_c)) then | |
| 92 | + mpi_recv_buf_c(1:mpi_number)=mpi_send_buf_c(1:mpi_number) | |
| 93 | + endif | |
| 94 | + endif | |
| 95 | + return | |
| 96 | + endif | |
| 97 | + | |
| 98 | + if(present(mpi_recv_buf_dp).or.present(mpi_send_buf_dp)) then | |
| 99 | + if(mpi_command.eq.'bcast'.or.mpi_command.eq.'send'.or.mpi_command.eq.'recv') then | |
| 100 | + return | |
| 101 | + endif | |
| 102 | + if(mpi_command.eq.'reduce'.or.mpi_command.eq.'allreduce') then | |
| 103 | + if(present(mpi_send_buf_dp)) then | |
| 104 | + mpi_recv_buf_dp(1:mpi_number)=mpi_send_buf_dp(1:mpi_number) | |
| 105 | + endif | |
| 106 | + endif | |
| 107 | + return | |
| 108 | + endif | |
| 109 | + | |
| 110 | + if(present(mpi_recv_buf_dc).or.present(mpi_send_buf_dc)) then | |
| 111 | + if(mpi_command.eq.'bcast'.or.mpi_command.eq.'send'.or.mpi_command.eq.'recv') then | |
| 112 | + return | |
| 113 | + endif | |
| 114 | + if(mpi_command.eq.'reduce'.or.mpi_command.eq.'allreduce') then | |
| 115 | + if(present(mpi_send_buf_dc)) then | |
| 116 | + mpi_recv_buf_dc(1:mpi_number)=mpi_send_buf_dc(1:mpi_number) | |
| 117 | + endif | |
| 118 | + endif | |
| 119 | + return | |
| 120 | + endif | |
| 121 | + | |
| 122 | + end subroutine ms_mpi | |
| 123 | + end module mpidefs | ... | ... |
| 1 | +++ a/msinput.inp | |
| 1 | +number_spheres | |
| 2 | +27 | |
| 3 | +sphere_position_file | |
| 4 | +cube27.pos | |
| 5 | +output_file | |
| 6 | +test.dat | |
| 7 | +run_print_file | |
| 8 | + | |
| 9 | +length_scale_factor | |
| 10 | +2 | |
| 11 | +real_ref_index_scale_factor | |
| 12 | +1.4 | |
| 13 | +imag_ref_index_scale_factor | |
| 14 | +.1 | |
| 15 | +real_chiral_factor | |
| 16 | +0.d0 | |
| 17 | +imag_chiral_factor | |
| 18 | +0.d0 | |
| 19 | +mie_epsilon | |
| 20 | +1.d-4 | |
| 21 | +translation_epsilon | |
| 22 | +1.d-6 | |
| 23 | +solution_epsilon | |
| 24 | +1.d-7 | |
| 25 | +max_number_iterations | |
| 26 | +5000 | |
| 27 | +max_memory_per_processor | |
| 28 | +1500 | |
| 29 | +store_translation_matrix | |
| 30 | +1 | |
| 31 | +near_field_distance | |
| 32 | +-1. | |
| 33 | +iterations_per_correction | |
| 34 | +20 | |
| 35 | +min_scattering_angle_deg | |
| 36 | +0.d0 | |
| 37 | +max_scattering_angle_deg | |
| 38 | +180.d0 | |
| 39 | +number_scattering_angles | |
| 40 | +181 | |
| 41 | +normalize_scattering_matrix | |
| 42 | +1 | |
| 43 | +gaussian_beam_constant | |
| 44 | +0.0d0 | |
| 45 | +gaussian_beam_focal_point | |
| 46 | +0.d0,0.d0,0.d0 | |
| 47 | +fixed_or_random_orientation | |
| 48 | +0 | |
| 49 | +incident_azimuth_angle_deg | |
| 50 | +0.d0 | |
| 51 | +incident_polar_angle_deg | |
| 52 | +0.d0 | |
| 53 | +scattering_plane_angle_deg | |
| 54 | +0.d0 | |
| 55 | +calculate_scattering_coefficients | |
| 56 | +1 | |
| 57 | +scattering_coefficient_file | |
| 58 | +amn_temp.dat | |
| 59 | +track_iterations | |
| 60 | +1 | |
| 61 | +calculate_near_field | |
| 62 | +1 | |
| 63 | +near_field_plane_coord | |
| 64 | +1 | |
| 65 | +near_field_plane_position | |
| 66 | +0.d0 | |
| 67 | +near_field_plane_vertices | |
| 68 | +-20.d0,-20.d0,20.d0,20.d0 | |
| 69 | +spacial_step_size | |
| 70 | +.2d0 | |
| 71 | +polarization_angle_deg | |
| 72 | +0.d0 | |
| 73 | +near_field_output_file | |
| 74 | +nf-temp.dat | |
| 75 | +near_field_output_data | |
| 76 | +2 | |
| 77 | +plane_wave_epsilon | |
| 78 | +0.01d0 | |
| 79 | +calculate_t_matrix | |
| 80 | +1 | |
| 81 | +t_matrix_file | |
| 82 | +tmatrix-temp.dat | |
| 83 | +t_matrix_convergence_epsilon | |
| 84 | +1.d-9 | |
| 85 | +sphere_sizes_and_positions | |
| 86 | +10. 0. 0. 0. | |
| 87 | +5. 0. 0. 15. | |
| 88 | +2. 0. 0. -12. | |
| 89 | +8. 18. 0. 0. | |
| 90 | +end_of_options | ... | ... |
| 1 | +++ a/mstm-generic-main-v2.2.f90 | |
| 1 | +! | |
| 2 | +! generic mstm calling program. | |
| 3 | +! | |
| 4 | +! this code is intended for user modification. It does not employ input files, command line arguments, etc. | |
| 5 | +! | |
| 6 | +! all parameters must be hardwired. read the code for the basic ideas. | |
| 7 | +! | |
| 8 | + program main | |
| 9 | + use mpidefs | |
| 10 | + use mpidata | |
| 11 | + use intrinsics | |
| 12 | + use spheredata | |
| 13 | + use numconstants | |
| 14 | + use specialfuncs | |
| 15 | + use miecoefdata | |
| 16 | + use translation | |
| 17 | + use solver | |
| 18 | + use scatprops | |
| 19 | + use nearfield | |
| 20 | + implicit none | |
| 21 | + integer :: nsphere,neqns,nodrmax,nodrt,i,k,niter,istat,numtheta, & | |
| 22 | + nblkt,nodrg,m,n,p,l,q,mn,kl,m1,n1,l1,k1,q1,w,klm,mnm,ikm, & | |
| 23 | + fixedorrandom,numargs,calctmatrix,maxiter,nodrta(1),calcnf, & | |
| 24 | + calcamn,ip1,ip2,ma,na,nsend,nfplane,nfoutunit,nfoutdata, & | |
| 25 | + maxmbperproc,trackiterations,nonactive,normalizesm, & | |
| 26 | + storetranmat,calcsm,niterstep,fftranpresent | |
| 27 | + integer, allocatable :: nodr(:),ntran(:),sphereblk(:),sphereoff(:) | |
| 28 | + real (8) :: alphadeg,betadeg,alpha,beta,epsmie,epstran,epssoln, & | |
| 29 | + qexttot,qabstot,xv,scalefac,qscatot,asymparm, & | |
| 30 | + rireal,riimag,phideg,theta1d,theta2d,thetad,costheta,phi, & | |
| 31 | + sm(4,4),time1,time2,fc1,fc2,fc3,fc4,epstcon,qabslm,absrat, & | |
| 32 | + cbeam,gbfocus(3),maxerr,nfplanepos,nfplanevert(2,2), & | |
| 33 | + deltax,gammadeg,epspw,gamma,qexttotpar,qexttotper, & | |
| 34 | + qabstotpar,qabstotper,qscatotpar,qscatotper,cphi,sphi,s11, & | |
| 35 | + nfdistance | |
| 36 | + real(8), allocatable :: xsp(:), rpos(:,:),qext(:,:),qabs(:,:), & | |
| 37 | + qsca(:,:),smc(:,:,:),smt(:,:,:) | |
| 38 | + complex(8) :: sa(4),chiralfactor | |
| 39 | + complex(8), allocatable :: amnp(:,:),amnp0(:,:,:,:),ri(:,:), & | |
| 40 | + gmn(:),amnp1(:,:,:),amnp2(:,:,:) | |
| 41 | + character*30 :: inputfile,spherefile,parmfile,outfile,tmatrixfile,& | |
| 42 | + amnfile,nfoutfile,runfile | |
| 43 | + complex(8), allocatable :: pmnp0(:,:,:,:) | |
| 44 | + integer :: ierr,rank,printinputdata,runprintunit,numprocs | |
| 45 | +! | |
| 46 | +! this main program was set up to perform a loop of T matrix calculations, | |
| 47 | +! all involving scaled sphere positions from the file 'ran200fvp5.pos' | |
| 48 | +! | |
| 49 | +! | |
| 50 | +! extra variable declarations go here | |
| 51 | +! | |
| 52 | + integer :: case,numcases | |
| 53 | + real(8) :: xsp0,rpos0(3,200),rotang,volfrac,volfrac0,volfrac1,posscale | |
| 54 | + complex(8) :: ri0 | |
| 55 | +! | |
| 56 | +! define the sphere properties and run parameters | |
| 57 | +! | |
| 58 | + nsphere=200 | |
| 59 | + xsp0=3.d0 | |
| 60 | + ri0=(1.31d0,0.0d0) | |
| 61 | + chiralfactor=0.d0 | |
| 62 | + volfrac0=0.1d0 | |
| 63 | + volfrac1=0.5d0 | |
| 64 | + | |
| 65 | + allocate(xsp(nsphere),rpos(3,nsphere),nodr(nsphere),ntran(nsphere), & | |
| 66 | + ri(2,nsphere),sphereblk(nsphere),sphereoff(nsphere+1)) | |
| 67 | + spherefile='ran200fvp5.pos' | |
| 68 | + open(1,file=spherefile) | |
| 69 | + do i=1,nsphere | |
| 70 | + read(1,*) xsp(i),rpos0(:,i) | |
| 71 | + enddo | |
| 72 | + close(1) | |
| 73 | + | |
| 74 | + outfile='test.dat' | |
| 75 | + runfile=' ' | |
| 76 | + xsp=xsp0 | |
| 77 | + xv=xsp0*dble(nsphere)**.3333d0 | |
| 78 | + ri=ri0 | |
| 79 | + epsmie=1.d-4 | |
| 80 | + epstran=1.d-6 | |
| 81 | + epssoln=1.d-10 | |
| 82 | + niter=2000 | |
| 83 | + fixedorrandom=1 | |
| 84 | + theta1d=0. | |
| 85 | + theta2d=180. | |
| 86 | + numtheta=181 | |
| 87 | + maxmbperproc=1500. | |
| 88 | + storetranmat=1 | |
| 89 | + nfdistance=10000. | |
| 90 | + normalizesm=0 | |
| 91 | + calcamn=1 | |
| 92 | + amnfile='amn-temp.dat' | |
| 93 | + phideg=0.d0 | |
| 94 | + alphadeg=0.d0 | |
| 95 | + betadeg=0.d0 | |
| 96 | + trackiterations=0 | |
| 97 | + calcnf=0 | |
| 98 | + cbeam=0.d0 | |
| 99 | + nfplane=1 | |
| 100 | + nfplanepos=0.d0 | |
| 101 | + deltax=0.2d0 | |
| 102 | + nfplanevert=reshape((/-40.d0,-40.d0,40.d0,40.d0/),(/2,2/)) | |
| 103 | + gammadeg=0.d0 | |
| 104 | + nfoutfile='nftest2b.dat' | |
| 105 | + nfoutunit=2 | |
| 106 | + nfoutdata=1 | |
| 107 | + epspw=0.01d0 | |
| 108 | + calctmatrix=1 | |
| 109 | + tmatrixfile='tmatrix-temp.dat' | |
| 110 | + epstcon=1.d-6 | |
| 111 | +! | |
| 112 | +! this erases the output file: the code runs a loop where | |
| 113 | +! output values are appended to the file | |
| 114 | +! | |
| 115 | + open(1,file=outfile) | |
| 116 | + close(1,status='delete') | |
| 117 | + if(runfile.ne.' ') then | |
| 118 | + runprintunit=4 | |
| 119 | + open(runprintunit,file=runfile) | |
| 120 | + else | |
| 121 | + runprintunit=6 | |
| 122 | + endif | |
| 123 | + call setrunparameters(run_print_unit=runprintunit) | |
| 124 | +! | |
| 125 | +! initialize mpi | |
| 126 | +! | |
| 127 | + call ms_mpi(mpi_command='init') | |
| 128 | +! | |
| 129 | +! this is the main variable loop. In this example the volume fraction of the spheres | |
| 130 | +! is changed with each case. | |
| 131 | +! | |
| 132 | + numcases=20 | |
| 133 | + do case=1,numcases-1 | |
| 134 | + volfrac=volfrac0+(volfrac1-volfrac0)*dble(case-1)/dble(numcases-1) | |
| 135 | + posscale=(volfrac1/volfrac)**.33333d0 | |
| 136 | + rpos=rpos0*posscale*xsp0 | |
| 137 | + write(runprintunit,'('' case, fv:'',i5,f8.2)') case, volfrac | |
| 138 | +! | |
| 139 | +! the rest of the code is basically the same as the mstm | |
| 140 | +! main program, without the getrunparameter calls. | |
| 141 | +! | |
| 142 | + if(numtheta.gt.0) then | |
| 143 | + if(allocated(smt)) deallocate(smt) | |
| 144 | + allocate(smt(4,4,numtheta)) | |
| 145 | + endif | |
| 146 | +! | |
| 147 | +! determine if optical activity is present | |
| 148 | +! | |
| 149 | + nonactive=1 | |
| 150 | + do i=1,nsphere | |
| 151 | + if(cdabs(ri(1,i)-ri(2,i)).gt.1.d-10) then | |
| 152 | + nonactive=0 | |
| 153 | + exit | |
| 154 | + endif | |
| 155 | + enddo | |
| 156 | +! | |
| 157 | +! calculation of sphere mie coefficients, order limits | |
| 158 | +! | |
| 159 | + call miecoefcalc(nsphere,xsp,ri,epsmie) | |
| 160 | + call getmiedata(sphere_order=nodr,max_order=nodrmax,number_equations=neqns, & | |
| 161 | + sphere_block=sphereblk,sphere_block_offset=sphereoff) | |
| 162 | +! | |
| 163 | +! determine the size of the parallel run and set it up | |
| 164 | +! | |
| 165 | + call ms_mpi(mpi_command='size',mpi_size=numprocs) | |
| 166 | + call ms_mpi(mpi_command='rank',mpi_rank=rank) | |
| 167 | + call ms_mpi(mpi_command='barrier') | |
| 168 | + call mpisetup(nsphere,nodr,rpos,fixedorrandom,maxmbperproc,storetranmat, & | |
| 169 | + nfdistance,fftranpresent,runprintunit) | |
| 170 | + call ms_mpi(mpi_command='barrier') | |
| 171 | +! | |
| 172 | +! this was an option for moving the GB focal point | |
| 173 | +! | |
| 174 | + gbfocus=(/0.d0,dble(case-1),0.d0/)*.5d0 | |
| 175 | + gbfocus=0.d0 | |
| 176 | +! | |
| 177 | +! translation matrix calculation | |
| 178 | +! | |
| 179 | + call mpirottranmtrxsetup(nsphere,nodr,rpos,(1.d0,0.d0),storetranmat, & | |
| 180 | + nfdistance,runprintunit) | |
| 181 | + call ms_mpi(mpi_command='barrier') | |
| 182 | +! | |
| 183 | +! determine orders required to expand scattered fields about target origin | |
| 184 | +! | |
| 185 | + call tranorders(nsphere,nodr,rpos,epstran,ntran,nodrt) | |
| 186 | +! | |
| 187 | +! report the size of the run | |
| 188 | +! | |
| 189 | + if(rank.eq.0) then | |
| 190 | + write(runprintunit,'('' maximum sphere order:'',i5)') nodrmax | |
| 191 | + write(runprintunit,'('' estimated T matrix order:'',i5)') nodrt | |
| 192 | + write(runprintunit,'('' number of equations:'',i9)') neqns | |
| 193 | + call flush(runprintunit) | |
| 194 | + endif | |
| 195 | +! | |
| 196 | +! the main calculations | |
| 197 | +! | |
| 198 | + if(fixedorrandom.eq.1) then | |
| 199 | +! | |
| 200 | +! random orientation option | |
| 201 | +! | |
| 202 | + if(allocated(qext)) deallocate(qext,qabs,qsca) | |
| 203 | + allocate(qext(nsphere,1), qabs(nsphere,1), qsca(nsphere,1)) | |
| 204 | + if(calctmatrix.ge.1) then | |
| 205 | +! | |
| 206 | +! this option calculates the T matrix either from the beginning or where left off | |
| 207 | +! | |
| 208 | + if(rank.eq.0) time1=mytime() | |
| 209 | + call tmatrixsoln(neqns,nsphere,nodr,nodrt,xsp,rpos,epssoln,epstcon,niter,& | |
| 210 | + calctmatrix,tmatrixfile,fftranpresent,niterstep,qext,qabs,qsca,istat) | |
| 211 | + if(rank.eq.0) then | |
| 212 | + time2=mytime()-time1 | |
| 213 | + call timewrite(runprintunit,' execution time:',time2) | |
| 214 | + endif | |
| 215 | + call rottranmtrxclear() | |
| 216 | + else | |
| 217 | +! | |
| 218 | +! and this has the T matrix already calculated and stored in the file. | |
| 219 | +! | |
| 220 | +! read the order of the T matrix and broadcast to the processors. | |
| 221 | +! | |
| 222 | + if(rank.eq.0) then | |
| 223 | + open(3,file=tmatrixfile) | |
| 224 | + read(3,*) nodrt | |
| 225 | + close(3) | |
| 226 | + write(runprintunit,'('' t matrix order:'',i5)') nodrt | |
| 227 | + call flush(runprintunit) | |
| 228 | + endif | |
| 229 | + nodrta(1)=nodrt | |
| 230 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_i=nodrta,mpi_number=1,mpi_rank=0) | |
| 231 | + nodrt=nodrta(1) | |
| 232 | + call ms_mpi(mpi_command='barrier') | |
| 233 | + endif | |
| 234 | +! | |
| 235 | +! the T matrix is available; calculate the random orientation scattering matrix | |
| 236 | +! | |
| 237 | + nblkt=nodrt*(nodrt+2) | |
| 238 | + nodrg=nodrt*2 | |
| 239 | + if(allocated(smc)) deallocate(smc) | |
| 240 | + allocate(smc(4,4,0:nodrg)) | |
| 241 | + call ranorientscatmatrix(xv,nsphere,nodrt,nodrg,cbeam,tmatrixfile,smc,qext, & | |
| 242 | + qabs,qsca) | |
| 243 | + if(rank.eq.0) then | |
| 244 | + qexttot=sum(qext(:,1)*xsp*xsp)/xv/xv | |
| 245 | + qabstot=sum(qabs(:,1)*xsp*xsp)/xv/xv | |
| 246 | + qscatot=qexttot-qabstot | |
| 247 | + asymparm=dble(smc(1,1,1)/smc(1,1,0))/3.d0 | |
| 248 | + call ranorienscatmatrixcalc(numtheta,theta1d,theta2d,1,smc,nodrg,smt) | |
| 249 | + endif | |
| 250 | + else | |
| 251 | +! | |
| 252 | +! fixed orientation option | |
| 253 | +! | |
| 254 | + alpha=alphadeg*pi/180.d0 | |
| 255 | + beta=betadeg*pi/180.d0 | |
| 256 | + phi=phideg*pi/180.d0 | |
| 257 | + if(allocated(amnp)) deallocate(amnp) | |
| 258 | + allocate(amnp(neqns,2)) | |
| 259 | + if(allocated(qext)) deallocate(qext,qabs,qsca) | |
| 260 | + allocate(qext(nsphere,3), qabs(nsphere,3), qsca(nsphere,3)) | |
| 261 | + if(calcamn.eq.1) then | |
| 262 | +! | |
| 263 | +! this option calculates the scattering coefficients | |
| 264 | +! | |
| 265 | + if(rank.eq.0) time1=mytime() | |
| 266 | + call fixedorsoln(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,epssoln,& | |
| 267 | + epstran,niter,amnp,qext,qabs,qsca,maxerr,maxiter,trackiterations, & | |
| 268 | + fftranpresent,niterstep,istat) | |
| 269 | +! | |
| 270 | +! write the scattering coefficients to the file | |
| 271 | +! | |
| 272 | + if(rank.eq.0) then | |
| 273 | + time2=mytime()-time1 | |
| 274 | + write(runprintunit,'('' max iterations, soln error:'',i6,e13.5)') & | |
| 275 | + maxiter,maxerr | |
| 276 | + call timewrite(runprintunit,' execution time:',time2) | |
| 277 | + open(3,file=amnfile) | |
| 278 | + do i=1,nsphere | |
| 279 | + write(3,'(6e13.5)') qext(i,:),qabs(i,:),qsca(i,:) | |
| 280 | + allocate(amnp1(0:nodr(i)+1,nodr(i),2),amnp2(0:nodr(i)+1,nodr(i),2)) | |
| 281 | + ip1=sphereoff(i)+1 | |
| 282 | + ip2=sphereoff(i)+sphereblk(i) | |
| 283 | + amnp1=reshape(amnp(ip1:ip2,1),(/nodr(i)+2,nodr(i),2/)) | |
| 284 | + amnp2=reshape(amnp(ip1:ip2,2),(/nodr(i)+2,nodr(i),2/)) | |
| 285 | + do n=1,nodr(i) | |
| 286 | + do m=-n,n | |
| 287 | + if(m.le.-1) then | |
| 288 | + ma=n+1 | |
| 289 | + na=-m | |
| 290 | + else | |
| 291 | + ma=m | |
| 292 | + na=n | |
| 293 | + endif | |
| 294 | + write(3,'(4e17.9)') amnp1(ma,na,1),amnp2(ma,na,1) | |
| 295 | + write(3,'(4e17.9)') amnp1(ma,na,2),amnp2(ma,na,2) | |
| 296 | + enddo | |
| 297 | + enddo | |
| 298 | + deallocate(amnp1,amnp2) | |
| 299 | + enddo | |
| 300 | + close(3) | |
| 301 | + endif | |
| 302 | + else | |
| 303 | +! | |
| 304 | +! this option reads the scattering coefficients from the file | |
| 305 | +! | |
| 306 | + if(rank.eq.0) then | |
| 307 | + open(3,file=amnfile) | |
| 308 | + do i=1,nsphere | |
| 309 | + read(3,'(6e13.5)') qext(i,:),qabs(i,:),qsca(i,:) | |
| 310 | + allocate(amnp1(0:nodr(i)+1,nodr(i),2),amnp2(0:nodr(i)+1,nodr(i),2)) | |
| 311 | + do n=1,nodr(i) | |
| 312 | + do m=-n,n | |
| 313 | + if(m.le.-1) then | |
| 314 | + ma=n+1 | |
| 315 | + na=-m | |
| 316 | + else | |
| 317 | + ma=m | |
| 318 | + na=n | |
| 319 | + endif | |
| 320 | + read(3,'(4e17.9)') amnp1(ma,na,1),amnp2(ma,na,1) | |
| 321 | + read(3,'(4e17.9)') amnp1(ma,na,2),amnp2(ma,na,2) | |
| 322 | + enddo | |
| 323 | + enddo | |
| 324 | + ip1=sphereoff(i)+1 | |
| 325 | + ip2=sphereoff(i)+sphereblk(i) | |
| 326 | + amnp(ip1:ip2,1)=reshape(amnp1(0:nodr(i)+1,1:nodr(i),1:2),(/sphereblk(i)/)) | |
| 327 | + amnp(ip1:ip2,2)=reshape(amnp2(0:nodr(i)+1,1:nodr(i),1:2),(/sphereblk(i)/)) | |
| 328 | + deallocate(amnp1,amnp2) | |
| 329 | + enddo | |
| 330 | + close(3) | |
| 331 | + endif | |
| 332 | +! | |
| 333 | +! broadcast the scattering coefficients to the other processors | |
| 334 | +! | |
| 335 | + nsend=neqns*2 | |
| 336 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=amnp,mpi_number=nsend,mpi_rank=0) | |
| 337 | + endif | |
| 338 | +! | |
| 339 | +! calculate the efficiency factors | |
| 340 | +! | |
| 341 | + cphi=cos(phi) | |
| 342 | + sphi=sin(phi) | |
| 343 | + qexttotpar=sum((qext(:,1)*cphi*cphi+2.d0*qext(:,3)*cphi*sphi+qext(:,2)*sphi*sphi) & | |
| 344 | + *xsp*xsp)/xv/xv | |
| 345 | + qexttotper=sum((qext(:,1)*sphi*sphi-2.d0*qext(:,3)*cphi*sphi+qext(:,2)*cphi*cphi) & | |
| 346 | + *xsp*xsp)/xv/xv | |
| 347 | + qabstotpar=sum((qabs(:,1)*cphi*cphi+2.d0*qabs(:,3)*cphi*sphi+qabs(:,2)*sphi*sphi) & | |
| 348 | + *xsp*xsp)/xv/xv | |
| 349 | + qabstotper=sum((qabs(:,1)*sphi*sphi-2.d0*qabs(:,3)*cphi*sphi+qabs(:,2)*cphi*cphi) & | |
| 350 | + *xsp*xsp)/xv/xv | |
| 351 | + qscatotpar=qexttotpar-qabstotpar | |
| 352 | + qscatotper=qexttotper-qabstotper | |
| 353 | + qexttot=(qexttotpar+qexttotper)*.5d0 | |
| 354 | + qabstot=(qabstotpar+qabstotper)*.5d0 | |
| 355 | + qscatot=(qscatotpar+qscatotper)*.5d0 | |
| 356 | + qext(:,1)=(qext(:,1)+qext(:,2))*.5d0 | |
| 357 | + qabs(:,1)=(qabs(:,1)+qabs(:,2))*.5d0 | |
| 358 | + qsca(:,1)=(qsca(:,1)+qsca(:,2))*.5d0 | |
| 359 | + call rottranmtrxclear() | |
| 360 | +! | |
| 361 | +! calculate the target-based expansion and rotate to the incident field frame | |
| 362 | +! | |
| 363 | + allocate(amnp0(0:nodrt+1,nodrt,2,2),pmnp0(0:nodrt+1,nodrt,2,2)) | |
| 364 | + do k=1,2 | |
| 365 | + call amncommonorigin(neqns,nsphere,nodr,ntran,nodrt,rpos, & | |
| 366 | + amnp(1:neqns,k),amnp0(0:,1:,1:,k)) | |
| 367 | + call rotvec(alpha,beta,0.d0,nodrt,nodrt,amnp0(0:,1:,1:,k),1) | |
| 368 | + enddo | |
| 369 | +! | |
| 370 | +! calculate the asymmetry parameter and the scattering matrix | |
| 371 | +! | |
| 372 | + allocate(gmn(0:2)) | |
| 373 | + call s11expansion(amnp0,nodrt,0,1,gmn) | |
| 374 | + asymparm=dble(gmn(1)/gmn(0))/3.d0 | |
| 375 | + do i=1,numtheta | |
| 376 | + thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1)) | |
| 377 | + costheta=cos(thetad*pi/180.d0) | |
| 378 | + call scatteringmatrix(amnp0,nodrt,xv,costheta,phi,sa,smt(:,:,i)) | |
| 379 | + enddo | |
| 380 | + deallocate(amnp0,pmnp0,gmn) | |
| 381 | + endif | |
| 382 | +! | |
| 383 | +! output file operations | |
| 384 | +! | |
| 385 | + if(rank.eq.0) then | |
| 386 | + open(1,file=outfile,position='append') | |
| 387 | + if(nonactive.eq.0) then | |
| 388 | + write(1,'('' sphere S.P., pos. (x,y,z), ref. index (L,R), Qext, Qsca, Qabs, Qabs/Qabs,LM'')') | |
| 389 | + else | |
| 390 | + write(1,'('' sphere S.P., pos. (x,y,z), ref. index, Qext, Qsca, Qabs, Qabs/Qabs,LM'')') | |
| 391 | + endif | |
| 392 | + do i=1,nsphere | |
| 393 | + call getmiedata(which_sphere=i,sphere_qabs=qabslm) | |
| 394 | + if(dimag(ri(1,i)).eq.0.d0.and.dimag(ri(2,i)).eq.0.d0) then | |
| 395 | + absrat=1.d0 | |
| 396 | + else | |
| 397 | + absrat=qabs(i,1)/qabslm | |
| 398 | + endif | |
| 399 | + if(nonactive.eq.0) then | |
| 400 | + write(1,'(i5,4f10.4,4f10.6,3e13.5,f8.4)') i, xsp(i),rpos(:,i)+gbfocus, ri(:,i), & | |
| 401 | + qext(i,1),qsca(i,1),qabs(i,1),absrat | |
| 402 | + else | |
| 403 | + write(1,'(i5,4f10.4,2f10.6,3e13.5,f8.4)') i, xsp(i),rpos(:,i)+gbfocus, ri(1,i), & | |
| 404 | + qext(i,1),qsca(i,1),qabs(i,1),absrat | |
| 405 | + endif | |
| 406 | + enddo | |
| 407 | + if(fixedorrandom.eq.1) then | |
| 408 | + write(1,'('' total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm'')') | |
| 409 | + write(1,'(6e13.5)') qexttot,qabstot,qscatot,asymparm | |
| 410 | + else | |
| 411 | + write(1,'('' unpolarized total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm'')') | |
| 412 | + write(1,'(6e13.5)') qexttot,qabstot,qscatot,asymparm | |
| 413 | + write(1,'('' parallel total ext, abs, scat efficiencies'')') | |
| 414 | + write(1,'(6e13.5)') qexttotpar,qabstotpar,qscatotpar | |
| 415 | + write(1,'('' perpendicular total ext, abs, scat efficiencies'')') | |
| 416 | + write(1,'(6e13.5)') qexttotper,qabstotper,qscatotper | |
| 417 | + endif | |
| 418 | + | |
| 419 | + write(1,'('' scattering matrix elements'')') | |
| 420 | + if(normalizesm.eq.0) then | |
| 421 | + write(1,'('' theta s11 s22 s33'',& | |
| 422 | + &'' s44'',& | |
| 423 | + &'' s21 s32 s43 s31'',& | |
| 424 | + &'' s42 s41'')') | |
| 425 | + do i=1,numtheta | |
| 426 | + thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1)) | |
| 427 | + write(1,'(f8.2,10e12.4)') thetad,smt(1,1,i),smt(2,2,i),smt(3,3,i), & | |
| 428 | + smt(4,4,i),smt(1,2,i),smt(2,3,i),smt(3,4,i),smt(1,3,i), & | |
| 429 | + smt(2,4,i),smt(1,4,i) | |
| 430 | + enddo | |
| 431 | + else | |
| 432 | + write(1,'('' theta s11 s22/s11 s33'',& | |
| 433 | + &''/s11 s44'',& | |
| 434 | + &''/s11 s21/s11 s32/s11 s43/s11 s31'',& | |
| 435 | + &''/s11 s42/s11 s41/s11'')') | |
| 436 | + do i=1,numtheta | |
| 437 | + thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1)) | |
| 438 | + s11=smt(1,1,i) | |
| 439 | + write(1,'(f8.2,10e12.4)') thetad,smt(1,1,i),smt(2,2,i)/s11,smt(3,3,i)/s11, & | |
| 440 | + smt(4,4,i)/s11,smt(1,2,i)/s11,smt(2,3,i)/s11,smt(3,4,i)/s11,smt(1,3,i)/s11, & | |
| 441 | + smt(2,4,i)/s11,smt(1,4,i)/s11 | |
| 442 | + enddo | |
| 443 | + endif | |
| 444 | + if(fixedorrandom.eq.1) then | |
| 445 | + write(1,'('' scattering matrix expansion coefficients'')') | |
| 446 | + write(1,'('' w a11 a22 a33 '',& | |
| 447 | + &''a23 a32 a44 a12 '',& | |
| 448 | + &''a34 a13 a24 a14'')') | |
| 449 | + do w=0,nodrg | |
| 450 | + write(1,'(i5,11e12.4)') w,smc(1,1,w),smc(2,2,w),& | |
| 451 | + smc(3,3,w),smc(2,3,w),smc(3,2,w),smc(4,4,w),& | |
| 452 | + smc(1,2,w),smc(3,4,w),smc(1,3,w),smc(2,4,w),& | |
| 453 | + smc(1,4,w) | |
| 454 | + enddo | |
| 455 | + endif | |
| 456 | + close(1) | |
| 457 | + endif | |
| 458 | +! | |
| 459 | +! near field calculation options | |
| 460 | +! | |
| 461 | + if(fixedorrandom.eq.0.and.calcnf.eq.1) then | |
| 462 | +! | |
| 463 | +! this was a modification to the main: the near field file | |
| 464 | +! is opened for appending | |
| 465 | +! | |
| 466 | + if(rank.eq.0) then | |
| 467 | + open(nfoutunit,file=nfoutfile,position='append') | |
| 468 | + endif | |
| 469 | + gamma=gammadeg*pi/180.d0 | |
| 470 | + call nearfieldgridcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 471 | + nfplane,nfplanepos,nfplanevert,gbfocus,deltax,gamma,nfoutunit,epspw, & | |
| 472 | + nfoutdata,runprintunit) | |
| 473 | + if(rank.eq.0) then | |
| 474 | + close(nfoutunit) | |
| 475 | + endif | |
| 476 | + endif | |
| 477 | +! | |
| 478 | +! all done! | |
| 479 | +! | |
| 480 | +! | |
| 481 | +! and this ends the main variable loop. | |
| 482 | +! | |
| 483 | + enddo | |
| 484 | +! | |
| 485 | +! time to go home | |
| 486 | +! | |
| 487 | + call ms_mpi(mpi_command='finalize') | |
| 488 | + end | ... | ... |
| 1 | +++ a/mstm-gui.py | |
| 1 | +#!/usr/bin/python | |
| 2 | + | |
| 3 | +from mstm_materials import * | |
| 4 | +from mstm_parameters import * | |
| 5 | +from mstm_simparser import * | |
| 6 | +import time | |
| 7 | +import sys | |
| 8 | + | |
| 9 | +#PyQt4 libraries | |
| 10 | +from PyQt4 import QtGui | |
| 11 | +from PyQt4 import QtCore | |
| 12 | +from PyQt4 import uic | |
| 13 | + | |
| 14 | +class GuiWindow(QtGui.QMainWindow): | |
| 15 | + | |
| 16 | + params = ParameterClass('msinput.inp') | |
| 17 | + | |
| 18 | + def setParams(self): | |
| 19 | + #update the Gui based on values in the parameters structure | |
| 20 | + self.ui.spinStartLambda.setValue(self.params.minLambda) | |
| 21 | + self.ui.spinEndLambda.setValue(self.params.maxLambda) | |
| 22 | + self.ui.spinNumSamples.setValue(self.params.nSamples) | |
| 23 | + self.ui.spinNumSpheres.setValue(int(self.params['number_spheres'])) | |
| 24 | + #self.ui.spinAlpha.setValue(float(self.params['incident_azimuth_angle_deg'])) | |
| 25 | + #self.ui.spinBeta.setValue(float(self.params['incident_polar_angle_deg'])) | |
| 26 | + | |
| 27 | + fi = QtCore.QFileInfo(self.params.matFilename) | |
| 28 | + self.ui.txtMaterial.setText(fi.baseName()) | |
| 29 | + | |
| 30 | + #update global parameters for the dimer simulation | |
| 31 | + self.ui.spinSpacing.setValue(d) | |
| 32 | + | |
| 33 | + def getParams(self): | |
| 34 | + self.params.minLambda = self.ui.spinStartLambda.value() | |
| 35 | + self.params.maxLambda = self.ui.spinEndLambda.value() | |
| 36 | + self.params.nSamples = self.ui.spinNumSamples.value() | |
| 37 | + self.params.nSpheres = self.ui.spinNumSpheres.value() | |
| 38 | + self.params['incident_azimuth_angle_deg'] = self.ui.spinAlpha.value() | |
| 39 | + self.params['incident_polar_angle_deg'] = self.ui.spinBeta.value() | |
| 40 | + | |
| 41 | + | |
| 42 | + #global parameters for dimers | |
| 43 | + d = self.ui.spinSpacing.value() | |
| 44 | + | |
| 45 | + return self.params | |
| 46 | + | |
| 47 | + def simulate(self): | |
| 48 | + self.results = RunSimulation(self.params) | |
| 49 | + | |
| 50 | + def saveresults(self): | |
| 51 | + fileName = QtGui.QFileDialog.getSaveFileName(w, 'Save Spectral Results', '', 'DAT data files (*.dat)') | |
| 52 | + if fileName: | |
| 53 | + self.results.saveFile(fileName) | |
| 54 | + | |
| 55 | + def loadmaterial(self): | |
| 56 | + fileName = QtGui.QFileDialog.getOpenFileName(w, 'Load Material Refractive Index', '', 'TXT data files (*.txt)') | |
| 57 | + if fileName: | |
| 58 | + self.params.matFilename = fileName | |
| 59 | + | |
| 60 | + fi = QtCore.QFileInfo(fileName) | |
| 61 | + self.ui.txtMaterial.setText(fi.baseName()) | |
| 62 | + | |
| 63 | + def __init__(self): | |
| 64 | + QtGui.QWidget.__init__(self) | |
| 65 | + | |
| 66 | + #dimer-specific settings | |
| 67 | + self.params['number_spheres'] = 2 | |
| 68 | + self.params['sphere_position_file'] = '' | |
| 69 | + | |
| 70 | + #load the UI window | |
| 71 | + self.ui = uic.loadUi('mstm_guiwindow.ui') | |
| 72 | + #update the displayed parameters | |
| 73 | + self.setParams() | |
| 74 | + #display the UI | |
| 75 | + self.ui.show() | |
| 76 | + | |
| 77 | + #simulation button | |
| 78 | + self.connect(self.ui.btnSimulate, QtCore.SIGNAL("clicked()"), self.simulate) | |
| 79 | + self.connect(self.ui.mnuSaveResults, QtCore.SIGNAL("triggered()"), self.saveresults) | |
| 80 | + self.connect(self.ui.mnuLoadMaterial, QtCore.SIGNAL("triggered()"), self.loadmaterial) | |
| 81 | + | |
| 82 | +class ProgressBar(QtGui.QWidget): | |
| 83 | + def __init__(self, parent=None, total=20): | |
| 84 | + super(ProgressBar, self).__init__(parent) | |
| 85 | + self.name_line = QtGui.QLineEdit() | |
| 86 | + | |
| 87 | + self.progressbar = QtGui.QProgressBar() | |
| 88 | + self.progressbar.setMinimum(1) | |
| 89 | + self.progressbar.setMaximum(total) | |
| 90 | + | |
| 91 | + main_layout = QtGui.QGridLayout() | |
| 92 | + main_layout.addWidget(self.progressbar, 0, 0) | |
| 93 | + | |
| 94 | + self.setLayout(main_layout) | |
| 95 | + self.setWindowTitle("Progress") | |
| 96 | + | |
| 97 | + def update_progressbar(self, val): | |
| 98 | + self.progressbar.setValue(val) | |
| 99 | + | |
| 100 | + | |
| 101 | +def RunSimulation(parameters): | |
| 102 | + | |
| 103 | + #load the material | |
| 104 | + material = MaterialClass(parameters.matFilename) | |
| 105 | + | |
| 106 | + #add water if necessary | |
| 107 | + if parameters.inWater: | |
| 108 | + material.addSolution(1.33) | |
| 109 | + | |
| 110 | + #set the parameters based on the UI | |
| 111 | + parameters = w.getParams() | |
| 112 | + | |
| 113 | + #range for simulation | |
| 114 | + minLambda = parameters.minLambda | |
| 115 | + maxLambda = parameters.maxLambda | |
| 116 | + nSamples = parameters.nSamples | |
| 117 | + | |
| 118 | + #store the simulation results | |
| 119 | + results = SimParserClass() | |
| 120 | + | |
| 121 | + #create a progress bar | |
| 122 | + pbar = ProgressBar(total=nSamples) | |
| 123 | + pbar.show() | |
| 124 | + | |
| 125 | + #for each wavelength in the material | |
| 126 | + for i in range(nSamples): | |
| 127 | + | |
| 128 | + l = minLambda + i*(maxLambda - minLambda)/(nSamples - 1) | |
| 129 | + | |
| 130 | + | |
| 131 | + | |
| 132 | + #set the computed parameters | |
| 133 | + m = material[l] | |
| 134 | + n = m.n | |
| 135 | + parameters['real_ref_index_scale_factor'] = n.real | |
| 136 | + parameters['imag_ref_index_scale_factor'] = n.imag | |
| 137 | + parameters['length_scale_factor'] = (2.0 * 3.14159)/l | |
| 138 | + parameters['scattering_plane_angle_deg'] = gamma; | |
| 139 | + | |
| 140 | + | |
| 141 | + parameters.clearSpheres() | |
| 142 | + parameters.addSphere(a, -(d + 2*a)/2, 0, 0) | |
| 143 | + parameters.addSphere(a, (d + 2*a)/2, 0, 0) | |
| 144 | + | |
| 145 | + #save the scripted input file | |
| 146 | + parameters.saveFile('scriptParams.inp') | |
| 147 | + | |
| 148 | + #run the binary | |
| 149 | + from subprocess import call | |
| 150 | + devnull = open('/dev/null', 'w') | |
| 151 | + call(["./ms-tmatrix", "scriptParams.inp"], stdout=devnull) | |
| 152 | + | |
| 153 | + results.parseSimFile(l, 'test.dat') | |
| 154 | + | |
| 155 | + #update the progress bar | |
| 156 | + pbar.update_progressbar(i+1) | |
| 157 | + | |
| 158 | + | |
| 159 | + #plot results of interest | |
| 160 | + import matplotlib.pyplot as plt | |
| 161 | + wl = results['lambda'] | |
| 162 | + unpol = results['extinction_unpolarized'] | |
| 163 | + para = results['extinction_parallel'] | |
| 164 | + perp = results['extinction_perpendicular'] | |
| 165 | + plt.plot(wl, unpol, 'r-', wl, para, 'g-', wl, perp, 'b-') | |
| 166 | + plt.ylabel('Extinction') | |
| 167 | + plt.xlabel('Wavelength (um)') | |
| 168 | + plt.show() | |
| 169 | + | |
| 170 | + #return the results | |
| 171 | + return results; | |
| 172 | + | |
| 173 | + | |
| 174 | + | |
| 175 | + | |
| 176 | + | |
| 177 | + | |
| 178 | +#input template file name | |
| 179 | +inpFilename = 'msinput.inp' | |
| 180 | + | |
| 181 | +#output spectral file name | |
| 182 | +outFilename = 'spectralOut.txt' | |
| 183 | + | |
| 184 | +#sphere radii | |
| 185 | +a = 0.025 | |
| 186 | +#distance between spheres | |
| 187 | +d = 0.002 | |
| 188 | +#incident light directions | |
| 189 | +alpha = 0 | |
| 190 | +beta = 0 | |
| 191 | +gamma = 0 | |
| 192 | + | |
| 193 | +#results stored for each spectral sample | |
| 194 | +resultLabels = {'lambda', 'extinction_unpolarized', 'extinction_parallel', 'extinction_perpendicular'} | |
| 195 | + | |
| 196 | + | |
| 197 | + | |
| 198 | + | |
| 199 | + | |
| 200 | +outFile = open(outFilename, 'w') | |
| 201 | + | |
| 202 | +#number of characters in the progress bar | |
| 203 | +pb_max = 50 | |
| 204 | + | |
| 205 | + | |
| 206 | + | |
| 207 | +#create a Qt window | |
| 208 | +app = QtGui.QApplication(sys.argv) | |
| 209 | +w = GuiWindow() | |
| 210 | +sys.exit(app.exec_()) | |
| 211 | + | |
| 212 | + | |
| 213 | + | |
| 214 | + | |
| 215 | + | ... | ... |
| 1 | +++ a/mstm-intrinsics.f90 | |
| 1 | + module intrinsics | |
| 2 | +! | |
| 3 | +! compiler-dependent intrinsic functions. | |
| 4 | +! | |
| 5 | +! | |
| 6 | +! last revised: 15 January 2011 | |
| 7 | +! | |
| 8 | + | |
| 9 | + implicit none | |
| 10 | + contains | |
| 11 | +! | |
| 12 | +! system clock | |
| 13 | +! | |
| 14 | + real function mytime() | |
| 15 | + implicit none | |
| 16 | + real :: etime | |
| 17 | + real(4), parameter :: x=0. | |
| 18 | + real :: t(2) | |
| 19 | +! mytime=secnds(x) | |
| 20 | + mytime=etime(t) | |
| 21 | + end function mytime | |
| 22 | + | |
| 23 | +! flush is one of the best named functions in fortran, although it does not do what I think it should. This function flushes | |
| 24 | +! the buffer to print unit i, so when the unit is flushed, all data written to the open file will appear in the file. | |
| 25 | +! Not all compilers have this function. | |
| 26 | + | |
| 27 | + subroutine flush(i) | |
| 28 | + implicit none | |
| 29 | + integer :: i | |
| 30 | + flush(i) | |
| 31 | + end subroutine flush | |
| 32 | +! | |
| 33 | +! number of command-line arguments. | |
| 34 | +! | |
| 35 | + integer function mstm_nargs() | |
| 36 | + implicit none | |
| 37 | + integer nargs | |
| 38 | +! mstm_nargs=nargs() | |
| 39 | + mstm_nargs=iargc() | |
| 40 | + end function mstm_nargs | |
| 41 | +! | |
| 42 | +! command line argument retrieval | |
| 43 | +! | |
| 44 | + subroutine mstm_getarg(char) | |
| 45 | + implicit none | |
| 46 | + integer :: istat | |
| 47 | + character(*) :: char | |
| 48 | +! call getarg(1,char,istat) | |
| 49 | + call getarg(1,char) | |
| 50 | + end subroutine mstm_getarg | |
| 51 | + | |
| 52 | + end module intrinsics | ... | ... |
| 1 | +++ a/mstm-main-v2.2.f90 | |
| 1 | +! | |
| 2 | +! mstm main program | |
| 3 | +! | |
| 4 | +! | |
| 5 | +! original release: 15 January 2011 | |
| 6 | +! 21 February 2011: modifications to fixed orientation efficiency factor | |
| 7 | +! | |
| 8 | + program main | |
| 9 | + use mpidefs | |
| 10 | + use mpidata | |
| 11 | + use intrinsics | |
| 12 | + use spheredata | |
| 13 | + use numconstants | |
| 14 | + use specialfuncs | |
| 15 | + use miecoefdata | |
| 16 | + use translation | |
| 17 | + use solver | |
| 18 | + use scatprops | |
| 19 | + use nearfield | |
| 20 | + implicit none | |
| 21 | + integer :: nsphere,neqns,nodrmax,nodrt,i,k,niter,istat,numtheta, & | |
| 22 | + nblkt,nodrg,m,n,p,l,q,mn,kl,m1,n1,l1,k1,q1,w,klm,mnm,ikm, & | |
| 23 | + fixedorrandom,numargs,calctmatrix,maxiter,nodrta(1),calcnf, & | |
| 24 | + calcamn,ip1,ip2,ma,na,nsend,nfplane,nfoutunit,nfoutdata, & | |
| 25 | + maxmbperproc,trackiterations,nonactive,normalizesm,storetranmat, & | |
| 26 | + fftranpresent,niterstep | |
| 27 | + integer, allocatable :: nodr(:),ntran(:),sphereblk(:),sphereoff(:) | |
| 28 | + real (8) :: alphadeg,betadeg,alpha,beta,epsmie,epstran,epssoln, & | |
| 29 | + qexttot,qabstot,xv,scalefac,qscatot,asymparm, & | |
| 30 | + rireal,riimag,phideg,theta1d,theta2d,thetad,costheta,phi, & | |
| 31 | + sm(4,4),time1,time2,fc1,fc2,fc3,fc4,epstcon,qabslm,absrat, & | |
| 32 | + cbeam,gbfocus(3),maxerr,nfplanepos,nfplanevert(2,2), & | |
| 33 | + deltax,gammadeg,epspw,gamma,qexttotpar,qexttotper, & | |
| 34 | + qabstotpar,qabstotper,qscatotpar,qscatotper,cphi,sphi,s11, & | |
| 35 | + nfdistance | |
| 36 | + real(8), allocatable :: xsp(:), rpos(:,:),qext(:,:),qabs(:,:), & | |
| 37 | + qsca(:,:),smc(:,:,:),smt(:,:,:) | |
| 38 | + complex(8) :: sa(4) | |
| 39 | + complex(8), allocatable :: amnp(:,:),amnp0(:,:,:,:),ri(:,:), & | |
| 40 | + gmn(:),amnp1(:,:,:),amnp2(:,:,:) | |
| 41 | + character*30 :: inputfile,spherefile,parmfile,outfile,tmatrixfile,& | |
| 42 | + amnfile,nfoutfile | |
| 43 | + complex(8), allocatable :: pmnp0(:,:,:,:) | |
| 44 | + integer :: ierr,rank,printinputdata,runprintunit,numprocs | |
| 45 | +! | |
| 46 | +! command line argument retrieval for input file | |
| 47 | +! | |
| 48 | + printinputdata=1 | |
| 49 | + numargs=mstm_nargs() | |
| 50 | + if(numargs.eq.0) then | |
| 51 | + inputfile='msinput.inp' | |
| 52 | + else | |
| 53 | + call mstm_getarg(inputfile) | |
| 54 | + endif | |
| 55 | + call inputdata(inputfile,printinputdata) | |
| 56 | +! | |
| 57 | +! reading of run and sphere data, setting up of arrays | |
| 58 | +! | |
| 59 | + call getspheredata(number_spheres=nsphere) | |
| 60 | + allocate(xsp(nsphere),rpos(3,nsphere),nodr(nsphere),ntran(nsphere), & | |
| 61 | + ri(2,nsphere),sphereblk(nsphere),sphereoff(nsphere+1)) | |
| 62 | + call getspheredata(sphere_size_parameters=xsp,sphere_positions=rpos, & | |
| 63 | + sphere_refractive_indices=ri,volume_size_parameter=xv) | |
| 64 | + call getrunparameters(mie_epsilon=epsmie,translation_epsilon=epstran, & | |
| 65 | + solution_epsilon=epssoln,max_number_iterations=niter, & | |
| 66 | + fixed_or_random_orientation=fixedorrandom,output_file=outfile, & | |
| 67 | + min_scattering_angle_deg=theta1d,max_scattering_angle_deg=theta2d, & | |
| 68 | + number_scattering_angles=numtheta,gaussian_beam_constant=cbeam, & | |
| 69 | + gaussian_beam_focal_point=gbfocus,run_print_unit=runprintunit, & | |
| 70 | + max_memory_per_processor=maxmbperproc, & | |
| 71 | + normalize_scattering_matrix=normalizesm, & | |
| 72 | + store_translation_matrix=storetranmat, & | |
| 73 | + near_field_distance=nfdistance, & | |
| 74 | + iterations_per_correction=niterstep) | |
| 75 | + if(numtheta.gt.0) then | |
| 76 | + allocate(smt(4,4,numtheta)) | |
| 77 | + endif | |
| 78 | +! | |
| 79 | +! determine if optical activity is present | |
| 80 | +! | |
| 81 | + nonactive=1 | |
| 82 | + do i=1,nsphere | |
| 83 | + if(cdabs(ri(1,i)-ri(2,i)).gt.1.d-10) then | |
| 84 | + nonactive=0 | |
| 85 | + exit | |
| 86 | + endif | |
| 87 | + enddo | |
| 88 | +! | |
| 89 | +! calculation of sphere mie coefficients, order limits | |
| 90 | +! | |
| 91 | + call miecoefcalc(nsphere,xsp,ri,epsmie) | |
| 92 | + call getmiedata(sphere_order=nodr,max_order=nodrmax,number_equations=neqns, & | |
| 93 | + sphere_block=sphereblk,sphere_block_offset=sphereoff) | |
| 94 | +! | |
| 95 | +! determine the size of the parallel run and set it up | |
| 96 | +! | |
| 97 | + call ms_mpi(mpi_command='init') | |
| 98 | + call ms_mpi(mpi_command='size',mpi_size=numprocs) | |
| 99 | + call ms_mpi(mpi_command='rank',mpi_rank=rank) | |
| 100 | + call ms_mpi(mpi_command='barrier') | |
| 101 | + call mpisetup(nsphere,nodr,rpos,fixedorrandom,maxmbperproc,storetranmat, & | |
| 102 | + nfdistance,fftranpresent,runprintunit) | |
| 103 | + call ms_mpi(mpi_command='barrier') | |
| 104 | + call mpirottranmtrxsetup(nsphere,nodr,rpos,(1.d0,0.d0),storetranmat,& | |
| 105 | + nfdistance,runprintunit) | |
| 106 | + call ms_mpi(mpi_command='barrier') | |
| 107 | +! | |
| 108 | +! determine orders required to expand scattered fields about target origin | |
| 109 | +! | |
| 110 | + call tranorders(nsphere,nodr,rpos,epstran,ntran,nodrt) | |
| 111 | +! | |
| 112 | +! report the size of the run | |
| 113 | +! | |
| 114 | + if(rank.eq.0) then | |
| 115 | + write(runprintunit,'('' maximum sphere order:'',i5)') nodrmax | |
| 116 | + write(runprintunit,'('' estimated T matrix order:'',i5)') nodrt | |
| 117 | + write(runprintunit,'('' number of equations:'',i9)') neqns | |
| 118 | + call flush(runprintunit) | |
| 119 | + endif | |
| 120 | +! | |
| 121 | + if(fixedorrandom.eq.1) then | |
| 122 | +! | |
| 123 | +! random orientation option | |
| 124 | +! | |
| 125 | + call getrunparameters(calculate_t_matrix=calctmatrix,t_matrix_file=tmatrixfile, & | |
| 126 | + t_matrix_convergence_epsilon=epstcon) | |
| 127 | + allocate(qext(nsphere,1), qabs(nsphere,1), qsca(nsphere,1)) | |
| 128 | + if(calctmatrix.ge.1) then | |
| 129 | +! | |
| 130 | +! this option calculates the T matrix either from the beginning or where left off | |
| 131 | +! | |
| 132 | + if(rank.eq.0) time1=mytime() | |
| 133 | + call tmatrixsoln(neqns,nsphere,nodr,nodrt,xsp,rpos,epssoln,epstcon,niter,& | |
| 134 | + calctmatrix,tmatrixfile,fftranpresent,niterstep,qext,qabs,qsca,istat) | |
| 135 | + if(rank.eq.0) then | |
| 136 | + time2=mytime()-time1 | |
| 137 | + call timewrite(runprintunit,' execution time:',time2) | |
| 138 | + endif | |
| 139 | + call rottranmtrxclear() | |
| 140 | + else | |
| 141 | +! | |
| 142 | +! and this has the T matrix already calculated and stored in the file. | |
| 143 | +! | |
| 144 | +! read the order of the T matrix and broadcast to the processors. | |
| 145 | +! | |
| 146 | + if(rank.eq.0) then | |
| 147 | + open(3,file=tmatrixfile) | |
| 148 | + read(3,*) nodrt | |
| 149 | + close(3) | |
| 150 | + write(runprintunit,'('' t matrix order:'',i5)') nodrt | |
| 151 | + call flush(runprintunit) | |
| 152 | + endif | |
| 153 | + nodrta(1)=nodrt | |
| 154 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_i=nodrta,mpi_number=1,mpi_rank=0) | |
| 155 | + nodrt=nodrta(1) | |
| 156 | + call ms_mpi(mpi_command='barrier') | |
| 157 | + endif | |
| 158 | +! | |
| 159 | +! the T matrix is available; calculate the random orientation scattering matrix | |
| 160 | +! | |
| 161 | + nblkt=nodrt*(nodrt+2) | |
| 162 | + nodrg=nodrt*2 | |
| 163 | + allocate(smc(4,4,0:nodrg)) | |
| 164 | + call ranorientscatmatrix(xv,nsphere,nodrt,nodrg,cbeam,tmatrixfile,smc,qext, & | |
| 165 | + qabs,qsca) | |
| 166 | + if(rank.eq.0) then | |
| 167 | + qexttot=sum(qext(:,1)*xsp*xsp)/xv/xv | |
| 168 | + qabstot=sum(qabs(:,1)*xsp*xsp)/xv/xv | |
| 169 | + qscatot=qexttot-qabstot | |
| 170 | + asymparm=dble(smc(1,1,1)/smc(1,1,0))/3.d0 | |
| 171 | + call ranorienscatmatrixcalc(numtheta,theta1d,theta2d,1,smc,nodrg,smt) | |
| 172 | + endif | |
| 173 | + else | |
| 174 | +! | |
| 175 | +! fixed orientation option | |
| 176 | +! | |
| 177 | + call getrunparameters(calculate_scattering_coefficients=calcamn, & | |
| 178 | + scattering_coefficient_file=amnfile, & | |
| 179 | + scattering_plane_angle_deg=phideg, & | |
| 180 | + incident_azimuth_angle_deg=alphadeg, & | |
| 181 | + incident_polar_angle_deg=betadeg, & | |
| 182 | + track_iterations=trackiterations) | |
| 183 | + alpha=alphadeg*pi/180.d0 | |
| 184 | + beta=betadeg*pi/180.d0 | |
| 185 | + phi=phideg*pi/180.d0 | |
| 186 | + allocate(amnp(neqns,2)) | |
| 187 | + allocate(qext(nsphere,3), qabs(nsphere,3), qsca(nsphere,3)) | |
| 188 | + if(calcamn.eq.1) then | |
| 189 | +! | |
| 190 | +! this option calculates the scattering coefficients | |
| 191 | +! | |
| 192 | + if(rank.eq.0) time1=mytime() | |
| 193 | + call fixedorsoln(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,epssoln,& | |
| 194 | + epstran,niter,amnp,qext,qabs,qsca,maxerr,maxiter,trackiterations, & | |
| 195 | + fftranpresent,niterstep,istat) | |
| 196 | +! | |
| 197 | +! write the scattering coefficients to the file | |
| 198 | +! | |
| 199 | + if(rank.eq.0) then | |
| 200 | + time2=mytime()-time1 | |
| 201 | + write(runprintunit,'('' max iterations, soln error:'',i6,e13.5)') & | |
| 202 | + maxiter,maxerr | |
| 203 | + call timewrite(runprintunit,' execution time:',time2) | |
| 204 | + open(3,file=amnfile) | |
| 205 | + do i=1,nsphere | |
| 206 | + write(3,'(6e13.5)') qext(i,:),qabs(i,:),qsca(i,:) | |
| 207 | + allocate(amnp1(0:nodr(i)+1,nodr(i),2),amnp2(0:nodr(i)+1,nodr(i),2)) | |
| 208 | + ip1=sphereoff(i)+1 | |
| 209 | + ip2=sphereoff(i)+sphereblk(i) | |
| 210 | + amnp1=reshape(amnp(ip1:ip2,1),(/nodr(i)+2,nodr(i),2/)) | |
| 211 | + amnp2=reshape(amnp(ip1:ip2,2),(/nodr(i)+2,nodr(i),2/)) | |
| 212 | + do n=1,nodr(i) | |
| 213 | + do m=-n,n | |
| 214 | + if(m.le.-1) then | |
| 215 | + ma=n+1 | |
| 216 | + na=-m | |
| 217 | + else | |
| 218 | + ma=m | |
| 219 | + na=n | |
| 220 | + endif | |
| 221 | + write(3,'(4e17.9)') amnp1(ma,na,1),amnp2(ma,na,1) | |
| 222 | + write(3,'(4e17.9)') amnp1(ma,na,2),amnp2(ma,na,2) | |
| 223 | + enddo | |
| 224 | + enddo | |
| 225 | + deallocate(amnp1,amnp2) | |
| 226 | + enddo | |
| 227 | + close(3) | |
| 228 | + endif | |
| 229 | + else | |
| 230 | +! | |
| 231 | +! this option reads the scattering coefficients from the file | |
| 232 | +! | |
| 233 | + if(rank.eq.0) then | |
| 234 | + open(3,file=amnfile) | |
| 235 | + do i=1,nsphere | |
| 236 | + read(3,'(6e13.5)') qext(i,:),qabs(i,:),qsca(i,:) | |
| 237 | + allocate(amnp1(0:nodr(i)+1,nodr(i),2),amnp2(0:nodr(i)+1,nodr(i),2)) | |
| 238 | + do n=1,nodr(i) | |
| 239 | + do m=-n,n | |
| 240 | + if(m.le.-1) then | |
| 241 | + ma=n+1 | |
| 242 | + na=-m | |
| 243 | + else | |
| 244 | + ma=m | |
| 245 | + na=n | |
| 246 | + endif | |
| 247 | + read(3,'(4e17.9)') amnp1(ma,na,1),amnp2(ma,na,1) | |
| 248 | + read(3,'(4e17.9)') amnp1(ma,na,2),amnp2(ma,na,2) | |
| 249 | + enddo | |
| 250 | + enddo | |
| 251 | + ip1=sphereoff(i)+1 | |
| 252 | + ip2=sphereoff(i)+sphereblk(i) | |
| 253 | + amnp(ip1:ip2,1)=reshape(amnp1(0:nodr(i)+1,1:nodr(i),1:2),(/sphereblk(i)/)) | |
| 254 | + amnp(ip1:ip2,2)=reshape(amnp2(0:nodr(i)+1,1:nodr(i),1:2),(/sphereblk(i)/)) | |
| 255 | + deallocate(amnp1,amnp2) | |
| 256 | + enddo | |
| 257 | + close(3) | |
| 258 | + endif | |
| 259 | +! | |
| 260 | +! broadcast the scattering coefficients to the other processors | |
| 261 | +! | |
| 262 | + nsend=neqns*2 | |
| 263 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=amnp,mpi_number=nsend,mpi_rank=0) | |
| 264 | + endif | |
| 265 | +! | |
| 266 | +! calculate the efficiency factors | |
| 267 | +! | |
| 268 | + | |
| 269 | + cphi=cos(phi) | |
| 270 | + sphi=sin(phi) | |
| 271 | + qexttotpar=sum((qext(:,1)*cphi*cphi+2.d0*qext(:,3)*cphi*sphi+qext(:,2)*sphi*sphi) & | |
| 272 | + *xsp*xsp)/xv/xv | |
| 273 | + qexttotper=sum((qext(:,1)*sphi*sphi-2.d0*qext(:,3)*cphi*sphi+qext(:,2)*cphi*cphi) & | |
| 274 | + *xsp*xsp)/xv/xv | |
| 275 | + qabstotpar=sum((qabs(:,1)*cphi*cphi+2.d0*qabs(:,3)*cphi*sphi+qabs(:,2)*sphi*sphi) & | |
| 276 | + *xsp*xsp)/xv/xv | |
| 277 | + qabstotper=sum((qabs(:,1)*sphi*sphi-2.d0*qabs(:,3)*cphi*sphi+qabs(:,2)*cphi*cphi) & | |
| 278 | + *xsp*xsp)/xv/xv | |
| 279 | + qscatotpar=qexttotpar-qabstotpar | |
| 280 | + qscatotper=qexttotper-qabstotper | |
| 281 | + qexttot=(qexttotpar+qexttotper)*.5d0 | |
| 282 | + qabstot=(qabstotpar+qabstotper)*.5d0 | |
| 283 | + qscatot=(qscatotpar+qscatotper)*.5d0 | |
| 284 | + qext(:,1)=(qext(:,1)+qext(:,2))*.5d0 | |
| 285 | + qabs(:,1)=(qabs(:,1)+qabs(:,2))*.5d0 | |
| 286 | + qsca(:,1)=(qsca(:,1)+qsca(:,2))*.5d0 | |
| 287 | + call rottranmtrxclear() | |
| 288 | +! | |
| 289 | +! calculate the target-based expansion and rotate to the incident field frame | |
| 290 | +! | |
| 291 | + allocate(amnp0(0:nodrt+1,nodrt,2,2),pmnp0(0:nodrt+1,nodrt,2,2)) | |
| 292 | + if(rank.eq.0) then | |
| 293 | + do k=1,2 | |
| 294 | + call amncommonorigin(neqns,nsphere,nodr,ntran,nodrt,rpos, & | |
| 295 | + amnp(1:neqns,k),amnp0(0:,1:,1:,k)) | |
| 296 | + call rotvec(alpha,beta,0.d0,nodrt,nodrt,amnp0(0:,1:,1:,k),1) | |
| 297 | + enddo | |
| 298 | + endif | |
| 299 | + nsend=4*nodrt*(nodrt+2) | |
| 300 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=amnp0,mpi_number=nsend,mpi_rank=0) | |
| 301 | + | |
| 302 | +! | |
| 303 | +! calculate the asymmetry parameter and the scattering matrix | |
| 304 | +! | |
| 305 | + allocate(gmn(0:2)) | |
| 306 | + call s11expansion(amnp0,nodrt,0,1,gmn) | |
| 307 | + asymparm=dble(gmn(1)/gmn(0))/3.d0 | |
| 308 | + do i=1,numtheta | |
| 309 | + thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1)) | |
| 310 | + costheta=cos(thetad*pi/180.d0) | |
| 311 | + call scatteringmatrix(amnp0,nodrt,xv,costheta,phi,sa,smt(:,:,i)) | |
| 312 | + enddo | |
| 313 | + deallocate(amnp0,pmnp0,gmn) | |
| 314 | + endif | |
| 315 | +! | |
| 316 | +! output file operations | |
| 317 | +! | |
| 318 | + if(rank.eq.0) then | |
| 319 | + open(1,file=outfile,position='append') | |
| 320 | + if(nonactive.eq.0) then | |
| 321 | + write(1,'('' sphere S.P., pos. (x,y,z), ref. index (L,R), Qext, Qsca, Qabs, Qabs/Qabs,LM'')') | |
| 322 | + else | |
| 323 | + write(1,'('' sphere S.P., pos. (x,y,z), ref. index, Qext, Qsca, Qabs, Qabs/Qabs,LM'')') | |
| 324 | + endif | |
| 325 | + do i=1,nsphere | |
| 326 | + call getmiedata(which_sphere=i,sphere_qabs=qabslm) | |
| 327 | + if(dimag(ri(1,i)).eq.0.d0.and.dimag(ri(2,i)).eq.0.d0) then | |
| 328 | + absrat=1.d0 | |
| 329 | + else | |
| 330 | + absrat=qabs(i,1)/qabslm | |
| 331 | + endif | |
| 332 | + if(nonactive.eq.0) then | |
| 333 | + write(1,'(i5,4f10.4,4f10.6,3e13.5,f8.4)') i, xsp(i),rpos(:,i)+gbfocus, ri(:,i), & | |
| 334 | + qext(i,1),qsca(i,1),qabs(i,1),absrat | |
| 335 | + else | |
| 336 | + write(1,'(i5,4f10.4,2f10.6,3e13.5,f8.4)') i, xsp(i),rpos(:,i)+gbfocus, ri(1,i), & | |
| 337 | + qext(i,1),qsca(i,1),qabs(i,1),absrat | |
| 338 | + endif | |
| 339 | + enddo | |
| 340 | + if(fixedorrandom.eq.1) then | |
| 341 | + write(1,'('' total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm'')') | |
| 342 | + write(1,'(6e13.5)') qexttot,qabstot,qscatot,asymparm | |
| 343 | + else | |
| 344 | + write(1,'('' unpolarized total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm'')') | |
| 345 | + write(1,'(6e13.5)') qexttot,qabstot,qscatot,asymparm | |
| 346 | + write(1,'('' parallel total ext, abs, scat efficiencies'')') | |
| 347 | + write(1,'(6e13.5)') qexttotpar,qabstotpar,qscatotpar | |
| 348 | + write(1,'('' perpendicular total ext, abs, scat efficiencies'')') | |
| 349 | + write(1,'(6e13.5)') qexttotper,qabstotper,qscatotper | |
| 350 | + endif | |
| 351 | + | |
| 352 | + write(1,'('' scattering matrix elements'')') | |
| 353 | + if(normalizesm.eq.0) then | |
| 354 | + write(1,'('' theta s11 s22 s33'',& | |
| 355 | + &'' s44'',& | |
| 356 | + &'' s21 s32 s43 s31'',& | |
| 357 | + &'' s42 s41'')') | |
| 358 | + do i=1,numtheta | |
| 359 | + thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1)) | |
| 360 | + write(1,'(f8.2,10e12.4)') thetad,smt(1,1,i),smt(2,2,i),smt(3,3,i), & | |
| 361 | + smt(4,4,i),smt(1,2,i),smt(2,3,i),smt(3,4,i),smt(1,3,i), & | |
| 362 | + smt(2,4,i),smt(1,4,i) | |
| 363 | + enddo | |
| 364 | + else | |
| 365 | + write(1,'('' theta s11 s22/s11 s33'',& | |
| 366 | + &''/s11 s44'',& | |
| 367 | + &''/s11 s21/s11 s32/s11 s43/s11 s31'',& | |
| 368 | + &''/s11 s42/s11 s41/s11'')') | |
| 369 | + do i=1,numtheta | |
| 370 | + thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1)) | |
| 371 | + s11=smt(1,1,i) | |
| 372 | + write(1,'(f8.2,10e12.4)') thetad,smt(1,1,i),smt(2,2,i)/s11,smt(3,3,i)/s11, & | |
| 373 | + smt(4,4,i)/s11,smt(1,2,i)/s11,smt(2,3,i)/s11,smt(3,4,i)/s11,smt(1,3,i)/s11, & | |
| 374 | + smt(2,4,i)/s11,smt(1,4,i)/s11 | |
| 375 | + enddo | |
| 376 | + endif | |
| 377 | + if(fixedorrandom.eq.1) then | |
| 378 | + write(1,'('' scattering matrix expansion coefficients'')') | |
| 379 | + write(1,'('' w a11 a22 a33 '',& | |
| 380 | + &''a23 a32 a44 a12 '',& | |
| 381 | + &''a34 a13 a24 a14'')') | |
| 382 | + do w=0,nodrg | |
| 383 | + write(1,'(i5,11e12.4)') w,smc(1,1,w),smc(2,2,w),& | |
| 384 | + smc(3,3,w),smc(2,3,w),smc(3,2,w),smc(4,4,w),& | |
| 385 | + smc(1,2,w),smc(3,4,w),smc(1,3,w),smc(2,4,w),& | |
| 386 | + smc(1,4,w) | |
| 387 | + enddo | |
| 388 | + endif | |
| 389 | + endif | |
| 390 | +! | |
| 391 | +! near field calculation options | |
| 392 | +! | |
| 393 | + if(fixedorrandom.eq.0) call getrunparameters(calculate_near_field=calcnf) | |
| 394 | + if(fixedorrandom.eq.0.and.calcnf.eq.1) then | |
| 395 | + call getrunparameters(near_field_plane_coord=nfplane, & | |
| 396 | + near_field_plane_position=nfplanepos,near_field_plane_vertices=nfplanevert, & | |
| 397 | + spacial_step_size=deltax,polarization_angle_deg=gammadeg, & | |
| 398 | + near_field_output_file=nfoutfile,near_field_output_data=nfoutdata, & | |
| 399 | + plane_wave_epsilon=epspw) | |
| 400 | + nfoutunit=2 | |
| 401 | + if(rank.eq.0) then | |
| 402 | + open(nfoutunit,file=nfoutfile) | |
| 403 | + endif | |
| 404 | + gamma=gammadeg*pi/180.d0 | |
| 405 | + call nearfieldgridcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 406 | + nfplane,nfplanepos,nfplanevert,gbfocus,deltax,gamma,nfoutunit,epspw, & | |
| 407 | + nfoutdata,runprintunit) | |
| 408 | + if(rank.eq.0) then | |
| 409 | + close(nfoutunit) | |
| 410 | + endif | |
| 411 | + endif | |
| 412 | +! | |
| 413 | +! all done! | |
| 414 | +! | |
| 415 | + if(rank.eq.0) close(1) | |
| 416 | + call ms_mpi(mpi_command='finalize') | |
| 417 | + end | ... | ... |
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| 1 | +++ a/mstm-modules-v2.2.f90 | |
| 1 | +! | |
| 2 | +! numerical constants | |
| 3 | +! | |
| 4 | +! | |
| 5 | +! last revised: 15 January 2011 | |
| 6 | +! | |
| 7 | + module numconstants | |
| 8 | + implicit none | |
| 9 | + integer :: print_intermediate_results | |
| 10 | + integer, allocatable :: monen(:) | |
| 11 | + integer, private :: nmax=0 | |
| 12 | + real(8) :: pi | |
| 13 | + real(8), allocatable :: bcof(:,:),fnr(:),vwh_coef(:,:,:,:) | |
| 14 | + real(8), allocatable :: vcc_const(:,:,:),fnm1_const(:,:),fn_const(:,:),fnp1_const(:,:) | |
| 15 | + data pi/3.141592653589793/ | |
| 16 | + | |
| 17 | + contains | |
| 18 | + | |
| 19 | + subroutine init(notd) | |
| 20 | + implicit none | |
| 21 | + integer :: notd,l,n,ierr,nbc,m,mm1,mp1,np1,nm1,nn1,mn | |
| 22 | + real(8) :: fnorm1,fnorm2 | |
| 23 | +! | |
| 24 | +! bcof(n,l)=((n+l)!/(n!l!))^(1/2) | |
| 25 | +! | |
| 26 | + if(notd.le.nmax) return | |
| 27 | + nmax=max(nmax,notd) | |
| 28 | + nbc=6*notd+6 | |
| 29 | + if(allocated(fnr)) deallocate(monen,fnr,bcof) | |
| 30 | + allocate (monen(0:2*notd),bcof(0:nbc,0:nbc),fnr(0:2*nbc),stat=ierr) | |
| 31 | +! write(*,'('' nmax, bcof status:'',2i5)') nmax,ierr | |
| 32 | + do n=0,2*notd | |
| 33 | + monen(n)=(-1)**n | |
| 34 | + enddo | |
| 35 | + fnr(0)=0.d0 | |
| 36 | + do n=1,2*nbc | |
| 37 | + fnr(n)=dsqrt(dble(n)) | |
| 38 | + enddo | |
| 39 | + bcof(0,0)=1.d0 | |
| 40 | + do n=0,nbc-1 | |
| 41 | + do l=n+1,nbc | |
| 42 | + bcof(n,l)=fnr(n+l)*bcof(n,l-1)/fnr(l) | |
| 43 | + bcof(l,n)=bcof(n,l) | |
| 44 | + enddo | |
| 45 | + bcof(n+1,n+1)=fnr(n+n+2)*fnr(n+n+1)*bcof(n,n)/fnr(n+1)/fnr(n+1) | |
| 46 | + enddo | |
| 47 | + if(allocated(vwh_coef)) deallocate(vwh_coef) | |
| 48 | + allocate(vwh_coef(-notd:notd,1:notd,-1:1,-1:1)) | |
| 49 | +! | |
| 50 | +! constants used for calculation of svwf functions. | |
| 51 | +! | |
| 52 | + do n=1,notd | |
| 53 | + nn1=n*(n+1) | |
| 54 | + np1=n+1 | |
| 55 | + nm1=n-1 | |
| 56 | + fnorm1=-.5d0/fnr(n+n+1)/fnr(n)/fnr(n+1) | |
| 57 | + fnorm2=-.5d0*fnr(n+n+1)/fnr(n)/fnr(n+1) | |
| 58 | + m=-n | |
| 59 | + mp1=m+1 | |
| 60 | + mm1=m-1 | |
| 61 | + vwh_coef(m,n, 1, 1)=-fnorm1*n*fnr(np1+m)*fnr(np1+mp1) | |
| 62 | + vwh_coef(m,n, 1,-1)=fnorm1*np1*fnr(n-m)*fnr(nm1-m) | |
| 63 | + vwh_coef(m,n,-1, 1)=fnorm1*n*fnr(np1-m)*fnr(np1-mm1) | |
| 64 | + vwh_coef(m,n,-1,-1)=0.d0 | |
| 65 | + vwh_coef(m,n, 0, 1)=fnorm1*n*fnr(np1+m)*fnr(np1-m) | |
| 66 | + vwh_coef(m,n, 0,-1)=0.d0 | |
| 67 | + vwh_coef(m,n, 1, 0)=-fnorm2*fnr(n-m)*fnr(np1+m) | |
| 68 | + vwh_coef(m,n,-1, 0)=-0.d0 | |
| 69 | + vwh_coef(m,n, 0, 0)=-fnorm2*m | |
| 70 | + do m=-n+1,-1 | |
| 71 | + mp1=m+1 | |
| 72 | + mm1=m-1 | |
| 73 | + vwh_coef(m,n, 1, 1)=-fnorm1*n*fnr(np1+m)*fnr(np1+mp1) | |
| 74 | + vwh_coef(m,n, 1,-1)=fnorm1*np1*fnr(n-m)*fnr(nm1-m) | |
| 75 | + vwh_coef(m,n,-1, 1)=fnorm1*n*fnr(np1-m)*fnr(np1-mm1) | |
| 76 | + vwh_coef(m,n,-1,-1)=-fnorm1*np1*fnr(n+m)*fnr(nm1+m) | |
| 77 | + vwh_coef(m,n, 0, 1)=fnorm1*n*fnr(np1+m)*fnr(np1-m) | |
| 78 | + vwh_coef(m,n, 0,-1)=fnorm1*np1*fnr(n+m)*fnr(n-m) | |
| 79 | + vwh_coef(m,n, 1, 0)=-fnorm2*fnr(n-m)*fnr(np1+m) | |
| 80 | + vwh_coef(m,n,-1, 0)=-fnorm2*fnr(n+m)*fnr(np1-m) | |
| 81 | + vwh_coef(m,n, 0, 0)=-fnorm2*m | |
| 82 | + enddo | |
| 83 | + do m=0,n-1 | |
| 84 | + mp1=m+1 | |
| 85 | + mm1=m-1 | |
| 86 | + vwh_coef(m,n, 1, 1)=-fnorm1*n*fnr(np1+m)*fnr(np1+mp1) | |
| 87 | + vwh_coef(m,n, 1,-1)=fnorm1*np1*fnr(n-m)*fnr(nm1-m) | |
| 88 | + vwh_coef(m,n,-1, 1)=fnorm1*n*fnr(np1-m)*fnr(np1-mm1) | |
| 89 | + vwh_coef(m,n,-1,-1)=-fnorm1*np1*fnr(n+m)*fnr(nm1+m) | |
| 90 | + vwh_coef(m,n, 0, 1)=fnorm1*n*fnr(np1+m)*fnr(np1-m) | |
| 91 | + vwh_coef(m,n, 0,-1)=fnorm1*np1*fnr(n+m)*fnr(n-m) | |
| 92 | + vwh_coef(m,n, 1, 0)=-fnorm2*fnr(n-m)*fnr(np1+m) | |
| 93 | + vwh_coef(m,n,-1, 0)=-fnorm2*fnr(n+m)*fnr(np1-m) | |
| 94 | + vwh_coef(m,n, 0, 0)=-fnorm2*m | |
| 95 | + enddo | |
| 96 | + m=n | |
| 97 | + mp1=m+1 | |
| 98 | + mm1=m-1 | |
| 99 | + vwh_coef(m,n, 1, 1)=-fnorm1*n*fnr(np1+m)*fnr(np1+mp1) | |
| 100 | + vwh_coef(m,n, 1,-1)=0.d0 | |
| 101 | + vwh_coef(m,n,-1, 1)=fnorm1*n*fnr(np1-m)*fnr(np1-mm1) | |
| 102 | + vwh_coef(m,n,-1,-1)=-fnorm1*np1*fnr(n+m)*fnr(nm1+m) | |
| 103 | + vwh_coef(m,n, 0, 1)=fnorm1*n*fnr(np1+m)*fnr(np1-m) | |
| 104 | + vwh_coef(m,n, 0,-1)=0.d0 | |
| 105 | + vwh_coef(m,n, 1, 0)=-0.d0 | |
| 106 | + vwh_coef(m,n,-1, 0)=-fnorm2*fnr(n+m)*fnr(np1-m) | |
| 107 | + vwh_coef(m,n, 0, 0)=-fnorm2*m | |
| 108 | + enddo | |
| 109 | + end subroutine init | |
| 110 | + | |
| 111 | + end module numconstants | |
| 112 | +! | |
| 113 | +! special function for the multiple sphere problem | |
| 114 | +! | |
| 115 | + module specialfuncs | |
| 116 | + implicit none | |
| 117 | + contains | |
| 118 | + | |
| 119 | + subroutine timewrite(iunit,char1,time) | |
| 120 | + use intrinsics | |
| 121 | + implicit none | |
| 122 | + integer :: iunit | |
| 123 | + real(8) :: time,time2 | |
| 124 | + character(*) :: char1 | |
| 125 | + if(time.gt.3600.d0) then | |
| 126 | + time2=time/3600.d0 | |
| 127 | + write(iunit,'(a,f9.3,'' hours'')') char1,time2 | |
| 128 | + elseif(time.gt.60.d0) then | |
| 129 | + time2=time/60.d0 | |
| 130 | + write(iunit,'(a,f9.2,'' min'')') char1,time2 | |
| 131 | + else | |
| 132 | + write(iunit,'(a,f9.2,'' sec'')') char1,time | |
| 133 | + endif | |
| 134 | + call flush(iunit) | |
| 135 | + end subroutine timewrite | |
| 136 | +! | |
| 137 | +! ricatti-bessel function psi(n), real argument | |
| 138 | +! | |
| 139 | + subroutine ricbessel(n,ds,eps,nmax,psi) | |
| 140 | + implicit none | |
| 141 | + integer :: n,nmax,ns,i | |
| 142 | + real(8) :: ds,dns,sn,psi(0:n),psit,ds2,sum,eps,err | |
| 143 | + if(int(ds).lt.n) then | |
| 144 | + ns=nint(ds+4.*(ds**.3333d0)+17) | |
| 145 | + ns=max(n+10,ns) | |
| 146 | + dns=0.d0 | |
| 147 | + do i=ns-1,n,-1 | |
| 148 | + sn=dble(i+1)/ds | |
| 149 | + dns=sn-1.d0/(dns+sn) | |
| 150 | + enddo | |
| 151 | + psi(n)=dns | |
| 152 | + psi(n-1)=dble(n)/ds-1.d0/(dns+dble(n)/ds) | |
| 153 | + do i=n-2,1,-1 | |
| 154 | + sn=dble(i+1)/ds | |
| 155 | + psi(i)=sn-1.d0/(psi(i+1)+sn) | |
| 156 | + enddo | |
| 157 | + psit=dsin(ds) | |
| 158 | + psi(0)=psit | |
| 159 | + ds2=ds*ds | |
| 160 | + sum=psit*psit/ds2 | |
| 161 | + do i=1,n | |
| 162 | + psit=psit/(dble(i)/ds+psi(i)) | |
| 163 | + sum=sum+dble(i+i+1)*psit*psit/ds2 | |
| 164 | + err=dabs(1.d0-sum) | |
| 165 | + psi(i)=psit | |
| 166 | + if(err.lt.eps) then | |
| 167 | + nmax=i | |
| 168 | + return | |
| 169 | + endif | |
| 170 | + enddo | |
| 171 | + nmax=n | |
| 172 | + else | |
| 173 | + psi(0)=dsin(ds) | |
| 174 | + psi(1)=psi(0)/ds-dcos(ds) | |
| 175 | + do i=1,n-1 | |
| 176 | + sn=dble(i+i+1)/ds | |
| 177 | + psi(i+1)=sn*psi(i)-psi(i-1) | |
| 178 | + enddo | |
| 179 | + nmax=n | |
| 180 | + endif | |
| 181 | + end subroutine ricbessel | |
| 182 | +! | |
| 183 | +! ricatti-hankel function xi(n), real argument | |
| 184 | +! | |
| 185 | +! | |
| 186 | +! last revised: 15 January 2011 | |
| 187 | +! | |
| 188 | + subroutine richankel(n,ds,xi) | |
| 189 | + implicit none | |
| 190 | + integer :: n,i,ns | |
| 191 | + real(8) :: ds,dns,sn,chi0,chi1,chi2,psi,psi0,psi1 | |
| 192 | + complex(8) :: xi(0:n) | |
| 193 | + if(int(ds).lt.n) then | |
| 194 | + ns=nint(ds+4.*(ds**.3333)+17) | |
| 195 | + ns=max(n+10,ns) | |
| 196 | + dns=0.d0 | |
| 197 | + do i=ns-1,n,-1 | |
| 198 | + sn=dble(i+1)/ds | |
| 199 | + dns=sn-1.d0/(dns+sn) | |
| 200 | + enddo | |
| 201 | + xi(n)=dns | |
| 202 | + xi(n-1)=dble(n)/ds-1.d0/(dns+dble(n)/ds) | |
| 203 | + do i=n-2,1,-1 | |
| 204 | + sn=dble(i+1)/ds | |
| 205 | + xi(i)=sn-1.d0/(xi(i+1)+sn) | |
| 206 | + enddo | |
| 207 | + chi0=-dcos(ds) | |
| 208 | + psi=dsin(ds) | |
| 209 | + chi1=chi0/ds-psi | |
| 210 | + xi(0)=dcmplx(psi,chi0) | |
| 211 | + do i=1,n | |
| 212 | + chi2=dble(i+i+1)/ds*chi1-chi0 | |
| 213 | + psi=psi/(dble(i)/ds+xi(i)) | |
| 214 | + xi(i)=dcmplx(psi,chi1) | |
| 215 | + chi0=chi1 | |
| 216 | + chi1=chi2 | |
| 217 | + enddo | |
| 218 | + return | |
| 219 | + else | |
| 220 | + chi0=-dcos(ds) | |
| 221 | + psi0=dsin(ds) | |
| 222 | + chi1=chi0/ds-psi0 | |
| 223 | + psi1=psi0/ds+chi0 | |
| 224 | + xi(0)=dcmplx(psi0,chi0) | |
| 225 | + xi(1)=dcmplx(psi1,chi1) | |
| 226 | + do i=1,n-1 | |
| 227 | + sn=dble(i+i+1)/ds | |
| 228 | + xi(i+1)=sn*xi(i)-xi(i-1) | |
| 229 | + enddo | |
| 230 | + return | |
| 231 | + endif | |
| 232 | + end subroutine richankel | |
| 233 | +! | |
| 234 | +! ricatti-bessel function psi(n), complex argument | |
| 235 | +! | |
| 236 | +! | |
| 237 | +! last revised: 15 January 2011 | |
| 238 | +! | |
| 239 | + subroutine cricbessel(n,ds,psi) | |
| 240 | + implicit none | |
| 241 | + integer :: n,i | |
| 242 | + complex(8) :: ds,psi(0:n),chi(0:n) | |
| 243 | + call cspherebessel(n,ds,psi,chi) | |
| 244 | + do i=0,n | |
| 245 | + psi(i)=psi(i)*ds | |
| 246 | + enddo | |
| 247 | + return | |
| 248 | + end subroutine cricbessel | |
| 249 | +! | |
| 250 | +! ricatti-hankel function psi(n), complex argument | |
| 251 | +! | |
| 252 | +! | |
| 253 | +! last revised: 15 January 2011 | |
| 254 | +! 7 october 2011: forces upwards recurrence for real argument ds | |
| 255 | +! | |
| 256 | + subroutine crichankel(n,ds,xi) | |
| 257 | + implicit none | |
| 258 | + integer :: n,i,i1 | |
| 259 | + complex(8) :: ds,psi(0:n),chi(0:n),xi(0:n),ci | |
| 260 | + data ci/(0.d0,1.d0)/ | |
| 261 | + xi(0)=-ci*cdexp(ci*ds) | |
| 262 | + xi(1)=-cdexp(ci*ds)*(ci+ds)/ds | |
| 263 | + if(dimag(ds).eq.0.d0) then | |
| 264 | + do i=1,n-1 | |
| 265 | + i1=i+1 | |
| 266 | + xi(i1)=dble(i+i1)/ds*xi(i)-xi(i-1) | |
| 267 | + enddo | |
| 268 | + return | |
| 269 | + endif | |
| 270 | + if(cdabs(xi(0)).lt.1.d-10) then | |
| 271 | + do i=1,n-1 | |
| 272 | + i1=i+1 | |
| 273 | + xi(i1)=dble(i+i1)/ds*xi(i)-xi(i-1) | |
| 274 | + enddo | |
| 275 | + return | |
| 276 | + else | |
| 277 | + call cspherebessel(n,ds,psi,chi) | |
| 278 | + do i=1,n-1 | |
| 279 | + i1=i+1 | |
| 280 | + xi(i1)=(psi(i1)+ci*chi(i1))*ds | |
| 281 | + enddo | |
| 282 | + return | |
| 283 | + endif | |
| 284 | + end subroutine crichankel | |
| 285 | +! | |
| 286 | +! ========================================================== | |
| 287 | +! Purpose: Compute spherical Bessel functions jn(z) & yn(z) | |
| 288 | +! for a complex argument | |
| 289 | +! Input : z --- Complex argument | |
| 290 | +! n --- Order of jn(z) & yn(z) ( n = 0,1,2,... ) | |
| 291 | +! Output: CSJ(n) --- jn(z) | |
| 292 | +! CSY(n) --- yn(z) | |
| 293 | +! NM --- Highest order computed | |
| 294 | +! Routines called: | |
| 295 | +! MSTA1 and MSTA2 for computing the starting | |
| 296 | +! point for backward recurrence | |
| 297 | +! ========================================================== | |
| 298 | +! | |
| 299 | +! obtained from, and copywrited by, Jian-Ming Jin | |
| 300 | +! http://jin.ece.uiuc.edu/ | |
| 301 | +! | |
| 302 | +! | |
| 303 | +! last revised: 15 January 2011 | |
| 304 | +! | |
| 305 | + subroutine cspherebessel(n,z,csj,csy) | |
| 306 | + implicit none | |
| 307 | + integer :: n,nm,k,m | |
| 308 | + real(8) :: a0 | |
| 309 | + complex(8) :: z,csj(0:n),csy(0:n),csa,csb,cs,cf0,cf1,cf | |
| 310 | + a0=cdabs(z) | |
| 311 | + nm=n | |
| 312 | + if (a0.lt.1.0d-60) then | |
| 313 | + csj=(0.d0,0.d0) | |
| 314 | + csy=(-1.d300,0.d0) | |
| 315 | + csy(0)=(1.d0,0.d0) | |
| 316 | + return | |
| 317 | + endif | |
| 318 | + csj=(0.d0,0.d0) | |
| 319 | + csj(0)=cdsin(z)/z | |
| 320 | + csj(1)=(csj(0)-cdcos(z))/z | |
| 321 | + if (n.ge.2) then | |
| 322 | + csa=csj(0) | |
| 323 | + csb=csj(1) | |
| 324 | + m=msta1(a0,200) | |
| 325 | + if (m.lt.n) then | |
| 326 | + nm=m | |
| 327 | + else | |
| 328 | + m=msta2(a0,n,15) | |
| 329 | + endif | |
| 330 | + cf0=0.0d0 | |
| 331 | + cf1=1.0d0-100 | |
| 332 | + do k=m,0,-1 | |
| 333 | + cf=(2.0d0*k+3.0d0)*cf1/z-cf0 | |
| 334 | + if (k.le.nm) csj(k)=cf | |
| 335 | + cf0=cf1 | |
| 336 | + cf1=cf | |
| 337 | + enddo | |
| 338 | + if (cdabs(csa).gt.cdabs(csb)) cs=csa/cf | |
| 339 | + if (cdabs(csa).le.cdabs(csb)) cs=csb/cf0 | |
| 340 | + do k=0,min(nm,n) | |
| 341 | + csj(k)=cs*csj(k) | |
| 342 | + enddo | |
| 343 | + endif | |
| 344 | + csy=(1.d200,0.d0) | |
| 345 | + csy(0)=-cdcos(z)/z | |
| 346 | + csy(1)=(csy(0)-cdsin(z))/z | |
| 347 | + do k=2,min(nm,n) | |
| 348 | + if (cdabs(csj(k-1)).gt.cdabs(csj(k-2))) then | |
| 349 | + csy(k)=(csj(k)*csy(k-1)-1.0d0/(z*z))/csj(k-1) | |
| 350 | + else | |
| 351 | + csy(k)=(csj(k)*csy(k-2)-(2.0d0*k-1.0d0)/z**3)/csj(k-2) | |
| 352 | + endif | |
| 353 | + enddo | |
| 354 | + end subroutine cspherebessel | |
| 355 | +! | |
| 356 | +! =================================================== | |
| 357 | +! Purpose: Determine the starting point for backward | |
| 358 | +! recurrence such that the magnitude of | |
| 359 | +! Jn(x) at that point is about 10^(-MP) | |
| 360 | +! Input : x --- Argument of Jn(x) | |
| 361 | +! MP --- Value of magnitude | |
| 362 | +! Output: MSTA1 --- Starting point | |
| 363 | +! =================================================== | |
| 364 | +! | |
| 365 | +! | |
| 366 | +! last revised: 15 January 2011 | |
| 367 | +! | |
| 368 | + integer function msta1(x,mp) | |
| 369 | + implicit none | |
| 370 | + integer :: mp,n0,n1,it,nn | |
| 371 | + real(8) :: x, a0,f1,f,f0 | |
| 372 | + a0=dabs(x) | |
| 373 | + n0=int(1.1*a0)+1 | |
| 374 | + f0=envj(n0,a0)-mp | |
| 375 | + n1=n0+5 | |
| 376 | + f1=envj(n1,a0)-mp | |
| 377 | + do it=1,20 | |
| 378 | + nn=n1-(n1-n0)/(1.0d0-f0/f1) | |
| 379 | + f=envj(nn,a0)-mp | |
| 380 | + if(abs(nn-n1).lt.1) exit | |
| 381 | + n0=n1 | |
| 382 | + f0=f1 | |
| 383 | + n1=nn | |
| 384 | + f1=f | |
| 385 | + enddo | |
| 386 | + msta1=nn | |
| 387 | + end function msta1 | |
| 388 | +! | |
| 389 | +! =================================================== | |
| 390 | +! Purpose: Determine the starting point for backward | |
| 391 | +! recurrence such that all Jn(x) has MP | |
| 392 | +! significant digits | |
| 393 | +! Input : x --- Argument of Jn(x) | |
| 394 | +! n --- Order of Jn(x) | |
| 395 | +! MP --- Significant digit | |
| 396 | +! Output: MSTA2 --- Starting point | |
| 397 | +! =================================================== | |
| 398 | +! | |
| 399 | +! | |
| 400 | +! last revised: 15 January 2011 | |
| 401 | +! | |
| 402 | + integer function msta2(x,n,mp) | |
| 403 | + implicit none | |
| 404 | + integer :: n,mp,n0,n1,it,nn | |
| 405 | + real(8) :: x,a0,hmp,ejn,obj,f0,f1,f | |
| 406 | + a0=dabs(x) | |
| 407 | + hmp=0.5d0*dble(mp) | |
| 408 | + ejn=envj(n,a0) | |
| 409 | + if (ejn.le.hmp) then | |
| 410 | + obj=mp | |
| 411 | + n0=int(1.1*a0) | |
| 412 | + else | |
| 413 | + obj=hmp+ejn | |
| 414 | + n0=n | |
| 415 | + endif | |
| 416 | + f0=envj(n0,a0)-obj | |
| 417 | + n1=n0+5 | |
| 418 | + f1=envj(n1,a0)-obj | |
| 419 | + do it=1,20 | |
| 420 | + nn=n1-(n1-n0)/(1.0d0-f0/f1) | |
| 421 | + f=envj(nn,a0)-obj | |
| 422 | + if (abs(nn-n1).lt.1) exit | |
| 423 | + n0=n1 | |
| 424 | + f0=f1 | |
| 425 | + n1=nn | |
| 426 | + f1=f | |
| 427 | + enddo | |
| 428 | + msta2=nn+10 | |
| 429 | + end function msta2 | |
| 430 | + | |
| 431 | + real(8) function envj(n,x) | |
| 432 | + implicit none | |
| 433 | + integer :: n | |
| 434 | + real(8) :: x | |
| 435 | + n=max(1,abs(n)) | |
| 436 | + envj=0.5d0*dlog10(6.28d0*n)-n*dlog10(1.36d0*x/n) | |
| 437 | + end function envj | |
| 438 | +! | |
| 439 | +! vector coupling coefficients vc(w) = C(m,n|k,l|m+k,w), w = |n-l|,... n+l | |
| 440 | +! uses downwards and upwards recurrence | |
| 441 | +! | |
| 442 | +! | |
| 443 | +! last revised: 15 January 2011 | |
| 444 | +! | |
| 445 | + subroutine vcfunc(m,n,k,l,vcn) | |
| 446 | + use numconstants | |
| 447 | + implicit none | |
| 448 | + integer :: m,n,k,l,wmax,wmin,w,mk | |
| 449 | + real(8) :: vcn(0:n+l),t1,t2,t3,vcmax,vctest,rat | |
| 450 | + vcn=0.d0 | |
| 451 | + wmax=n+l | |
| 452 | + wmin=max(abs(n-l),abs(m+k)) | |
| 453 | + vcn(wmax)=bcof(n+m,l+k)*bcof(n-m,l-k)/bcof(n+n,l+l) | |
| 454 | + if(wmin.eq.wmax) return | |
| 455 | + vcn(wmax-1)=vcn(wmax)*(l*m-k*n)*fnr(2*(l+n)-1)/fnr(l)/fnr(n)& | |
| 456 | + & /fnr(n+l+m+k)/fnr(n+l-m-k) | |
| 457 | + if(wmin.eq.wmax-1) return | |
| 458 | + mk=m+k | |
| 459 | + vcmax=abs(vcn(wmax))+abs(vcn(wmax-1)) | |
| 460 | +! | |
| 461 | +! a downwards recurrence is used initially | |
| 462 | +! | |
| 463 | + do w=wmax,wmin+2,-1 | |
| 464 | + t1=2*w*fnr(w+w+1)*fnr(w+w-1)/(fnr(w+mk)*fnr(w-mk)& | |
| 465 | + & *fnr(n-l+w)*fnr(l-n+w)*fnr(n+l-w+1)*fnr(n+l+w+1)) | |
| 466 | + t2=dble((m-k)*w*(w-1)-mk*n*(n+1)+mk*l*(l+1))& | |
| 467 | + & /dble(2*w*(w-1)) | |
| 468 | + t3=fnr(w-mk-1)*fnr(w+mk-1)*fnr(l-n+w-1)*fnr(n-l+w-1)& | |
| 469 | + & *fnr(n+l-w+2)*fnr(n+l+w)/(dble(2*(w-1))*fnr(2*w-3)& | |
| 470 | + & *fnr(2*w-1)) | |
| 471 | + vcn(w-2)=(t2*vcn(w-1)-vcn(w)/t1)/t3 | |
| 472 | + if(mod(wmax-w,2).eq.1) then | |
| 473 | + vctest=abs(vcn(w-2))+abs(vcn(w-1)) | |
| 474 | + vcmax=max(vcmax,vctest) | |
| 475 | + rat=vctest/vcmax | |
| 476 | +! | |
| 477 | +! if/when the coefficients start to decrease in magnitude, an upwards recurrence takes over | |
| 478 | +! | |
| 479 | + if(rat.lt.0.01d0) exit | |
| 480 | + endif | |
| 481 | + enddo | |
| 482 | + if(w-2.gt.wmin) then | |
| 483 | + wmax=w-3 | |
| 484 | + call vcfuncuprec(m,n,k,l,wmax,vcn) | |
| 485 | + endif | |
| 486 | + end subroutine vcfunc | |
| 487 | +! | |
| 488 | +! upwards VC coefficient recurrence | |
| 489 | +! | |
| 490 | +! | |
| 491 | +! last revised: 15 January 2011 | |
| 492 | +! | |
| 493 | + subroutine vcfuncuprec(m,n,k,l,wmax,vcn) | |
| 494 | + use numconstants | |
| 495 | + implicit none | |
| 496 | + integer :: m,n,k,l,wmax,wmin,w,mk,nl,m1,n1,l1,k1,w1,w2 | |
| 497 | + real(8) :: vcn(0:n+l),t1,t2,t3,vc1 | |
| 498 | + mk=abs(m+k) | |
| 499 | + nl=abs(n-l) | |
| 500 | + if(nl.ge.mk) then | |
| 501 | + w=nl | |
| 502 | + if(n.ge.l) then | |
| 503 | + m1=m | |
| 504 | + n1=n | |
| 505 | + l1=l | |
| 506 | + k1=k | |
| 507 | + else | |
| 508 | + m1=k | |
| 509 | + n1=l | |
| 510 | + k1=m | |
| 511 | + l1=n | |
| 512 | + endif | |
| 513 | + vc1=(-1)**(k1+l1)*bcof(l1+k1,w-m1-k1) & | |
| 514 | + *bcof(l1-k1,w+m1+k1)/bcof(l1+l1,w+w+1) | |
| 515 | + else | |
| 516 | + w=mk | |
| 517 | + if(m+k.ge.0) then | |
| 518 | + vc1=(-1)**(n+m)*bcof(n-l+w,l-k)*bcof(l-n+w,n-m) & | |
| 519 | + /bcof(w+w+1,n+l-w) | |
| 520 | + else | |
| 521 | + vc1=(-1)**(l+k)*bcof(n-l+w,l+k)*bcof(l-n+w,n+m) & | |
| 522 | + /bcof(w+w+1,n+l-w) | |
| 523 | + endif | |
| 524 | + endif | |
| 525 | + w1=w | |
| 526 | + vcn(w)=vc1 | |
| 527 | + w=w1+1 | |
| 528 | + mk=m+k | |
| 529 | + w2=min(wmax,n+l) | |
| 530 | + if(w2.gt.w1) then | |
| 531 | + t1=2*w*fnr(w+w+1)*fnr(w+w-1)/(fnr(w+mk)*fnr(w-mk) & | |
| 532 | + *fnr(n-l+w)*fnr(l-n+w)*fnr(n+l-w+1)*fnr(n+l+w+1)) | |
| 533 | + if(w1.eq.0) then | |
| 534 | + t2=.5*dble(m-k) | |
| 535 | + else | |
| 536 | + t2=dble((m-k)*w*(w-1)-mk*n*(n+1)+mk*l*(l+1)) & | |
| 537 | + /dble(2*w*(w-1)) | |
| 538 | + endif | |
| 539 | + vcn(w)=t1*t2*vcn(w1) | |
| 540 | + endif | |
| 541 | + do w=w1+2,w2 | |
| 542 | + t1=2*w*fnr(w+w+1)*fnr(w+w-1)/(fnr(w+mk)*fnr(w-mk) & | |
| 543 | + *fnr(n-l+w)*fnr(l-n+w)*fnr(n+l-w+1)*fnr(n+l+w+1)) | |
| 544 | + t2=dble((m-k)*w*(w-1)-mk*n*(n+1)+mk*l*(l+1)) & | |
| 545 | + /dble(2*w*(w-1)) | |
| 546 | + t3=fnr(w-mk-1)*fnr(w+mk-1)*fnr(l-n+w-1)*fnr(n-l+w-1) & | |
| 547 | + *fnr(n+l-w+2)*fnr(n+l+w)/(dble(2*(w-1))*fnr(2*w-3) & | |
| 548 | + *fnr(2*w-1)) | |
| 549 | + vcn(w)=t1*(t2*vcn(w-1)-t3*vcn(w-2)) | |
| 550 | + enddo | |
| 551 | + end subroutine vcfuncuprec | |
| 552 | +! | |
| 553 | +! Normalized associated legendre functions | |
| 554 | +! | |
| 555 | +! | |
| 556 | +! last revised: 15 January 2011 | |
| 557 | +! | |
| 558 | + subroutine normalizedlegendre(cbe,mmax,nmax,dc) | |
| 559 | + use numconstants | |
| 560 | + implicit none | |
| 561 | + integer :: nmax,mmax,m,n,np1,nm1,im | |
| 562 | + real(8) :: dc(-mmax:mmax,0:nmax),cbe,sbe | |
| 563 | + sbe=dsqrt((1.d0+cbe)*(1.d0-cbe)) | |
| 564 | + dc=0.d0 | |
| 565 | + do m=0,mmax | |
| 566 | + dc(m,m)=(-1)**m*(0.5d0*sbe)**m*bcof(m,m) | |
| 567 | + if(m.eq.nmax) exit | |
| 568 | + dc(m,m+1)=fnr(m+m+1)*cbe*dc(m,m) | |
| 569 | + do n=m+1,nmax-1 | |
| 570 | + dc(m,n+1)=(-fnr(n-m)*fnr(n+m)*dc(m,n-1)+dble(n+n+1)*cbe*dc(m,n)) & | |
| 571 | + /(fnr(n+1-m)*fnr(n+1+m)) | |
| 572 | + enddo | |
| 573 | + enddo | |
| 574 | + do m=1,mmax | |
| 575 | + im=(-1)**m | |
| 576 | + do n=m,nmax | |
| 577 | + dc(-m,n)=im*dc(m,n) | |
| 578 | + enddo | |
| 579 | + enddo | |
| 580 | + end subroutine normalizedlegendre | |
| 581 | +! | |
| 582 | +! Generalized spherical functions | |
| 583 | +! | |
| 584 | +! dc(m,n*(n+1)+k)=(-1)^(m + k)((n - k)!(n + k)!/(n - m)!/(n + m)!)^(1/2) | |
| 585 | +! ((1 + x)/2)^((m + k)/2)((1 - x)/2)^((k - m)/2)JacobiP[n - k, k - m, k + m, x] | |
| 586 | +! | |
| 587 | +! for |m| <= kmax, n=0,1,...nmax, |k| <= n | |
| 588 | +! | |
| 589 | +! | |
| 590 | +! last revised: 15 January 2011 | |
| 591 | +! | |
| 592 | + subroutine rotcoef(cbe,kmax,nmax,dc) | |
| 593 | + use numconstants | |
| 594 | + implicit none | |
| 595 | + integer :: kmax,nmax,k,m,in,n,knmax,nn1,kn,im,m1 | |
| 596 | + real(8) :: cbe,sbe,dc(-kmax:kmax,0:nmax*(nmax+2)),cbe2,sbe2,dk0(-nmax-1:nmax+1),& | |
| 597 | + dk01(-nmax-1:nmax+1),sben,dkt,fmn,dkm0,dkm1,dkn1 | |
| 598 | + sbe=dsqrt((1.d0+cbe)*(1.d0-cbe)) | |
| 599 | + cbe2=.5d0*(1.d0+cbe) | |
| 600 | + sbe2=.5d0*(1.d0-cbe) | |
| 601 | + in=1 | |
| 602 | + dk0(0)=1.d0 | |
| 603 | + sben=1.d0 | |
| 604 | + dc(0,0)=1.d0 | |
| 605 | + dk01(0)=0. | |
| 606 | + do n=1,nmax | |
| 607 | + knmax=min(n,kmax) | |
| 608 | + nn1=n*(n+1) | |
| 609 | + in=-in | |
| 610 | + sben=sben*sbe/2.d0 | |
| 611 | + dk0(n)=in*sben*bcof(n,n) | |
| 612 | + dk0(-n)=in*dk0(n) | |
| 613 | + dk01(n)=0. | |
| 614 | + dk01(-n)=0. | |
| 615 | + dc(0,nn1+n)=dk0(n) | |
| 616 | + dc(0,nn1-n)=dk0(-n) | |
| 617 | + do k=-n+1,n-1 | |
| 618 | + kn=nn1+k | |
| 619 | + dkt=dk01(k) | |
| 620 | + dk01(k)=dk0(k) | |
| 621 | + dk0(k)=(cbe*dble(n+n-1)*dk01(k)-fnr(n-k-1)*fnr(n+k-1)*dkt)& | |
| 622 | + /(fnr(n+k)*fnr(n-k)) | |
| 623 | + dc(0,kn)=dk0(k) | |
| 624 | + enddo | |
| 625 | + im=1 | |
| 626 | + do m=1,knmax | |
| 627 | + im=-im | |
| 628 | + fmn=1.d0/fnr(n-m+1)/fnr(n+m) | |
| 629 | + m1=m-1 | |
| 630 | + dkm0=0. | |
| 631 | + do k=-n,n | |
| 632 | + kn=nn1+k | |
| 633 | + dkm1=dkm0 | |
| 634 | + dkm0=dc(m1,kn) | |
| 635 | + if(k.eq.n) then | |
| 636 | + dkn1=0. | |
| 637 | + else | |
| 638 | + dkn1=dc(m1,kn+1) | |
| 639 | + endif | |
| 640 | + dc(m,kn)=(fnr(n+k)*fnr(n-k+1)*cbe2*dkm1 & | |
| 641 | + -fnr(n-k)*fnr(n+k+1)*sbe2*dkn1 & | |
| 642 | + -dble(k)*sbe*dc(m1,kn))*fmn | |
| 643 | + dc(-m,nn1-k)=dc(m,kn)*(-1)**(k)*im | |
| 644 | + enddo | |
| 645 | + enddo | |
| 646 | + enddo | |
| 647 | + end subroutine rotcoef | |
| 648 | + | |
| 649 | + subroutine rotcoefvecarg(narg,cbe,kmax,nmax,dc) | |
| 650 | + use numconstants | |
| 651 | + implicit none | |
| 652 | + integer :: kmax,nmax,k,m,in,n,knmax,nn1,kn,im,m1,narg | |
| 653 | + real(8) :: cbe(narg),sbe(narg),dc(-kmax:kmax,0:nmax*(nmax+2),narg), & | |
| 654 | + cbe2(narg),sbe2(narg),dk0(-nmax-1:nmax+1,narg),& | |
| 655 | + dk01(-nmax-1:nmax+1,narg),sben(narg),dkt(narg), & | |
| 656 | + fmn,dkm0(narg),dkm1(narg),dkn1(narg) | |
| 657 | + sbe=sqrt((1.d0+cbe)*(1.d0-cbe)) | |
| 658 | + cbe2=.5d0*(1.d0+cbe) | |
| 659 | + sbe2=.5d0*(1.d0-cbe) | |
| 660 | + in=1 | |
| 661 | + dk0(0,:)=1.d0 | |
| 662 | + sben=1.d0 | |
| 663 | + dc(0,0,:)=1.d0 | |
| 664 | + dk01(0,:)=0. | |
| 665 | + do n=1,nmax | |
| 666 | + knmax=min(n,kmax) | |
| 667 | + nn1=n*(n+1) | |
| 668 | + in=-in | |
| 669 | + sben=sben*sbe/2.d0 | |
| 670 | + dk0(n,:)=in*sben(:)*bcof(n,n) | |
| 671 | + dk0(-n,:)=in*dk0(n,:) | |
| 672 | + dk01(n,:)=0. | |
| 673 | + dk01(-n,:)=0. | |
| 674 | + dc(0,nn1+n,:)=dk0(n,:) | |
| 675 | + dc(0,nn1-n,:)=dk0(-n,:) | |
| 676 | + do k=-n+1,n-1 | |
| 677 | + kn=nn1+k | |
| 678 | + dkt(:)=dk01(k,:) | |
| 679 | + dk01(k,:)=dk0(k,:) | |
| 680 | + dk0(k,:)=(cbe(:)*dble(n+n-1)*dk01(k,:)-fnr(n-k-1)*fnr(n+k-1)*dkt(:)) & | |
| 681 | + /(fnr(n+k)*fnr(n-k)) | |
| 682 | + dc(0,kn,:)=dk0(k,:) | |
| 683 | + enddo | |
| 684 | + im=1 | |
| 685 | + do m=1,knmax | |
| 686 | + im=-im | |
| 687 | + fmn=1.d0/fnr(n-m+1)/fnr(n+m) | |
| 688 | + m1=m-1 | |
| 689 | + dkm0=0. | |
| 690 | + do k=-n,n | |
| 691 | + kn=nn1+k | |
| 692 | + dkm1=dkm0 | |
| 693 | + dkm0(:)=dc(m1,kn,:) | |
| 694 | + if(k.eq.n) then | |
| 695 | + dkn1=0. | |
| 696 | + else | |
| 697 | + dkn1(:)=dc(m1,kn+1,:) | |
| 698 | + endif | |
| 699 | + dc(m,kn,:)=(fnr(n+k)*fnr(n-k+1)*cbe2(:)*dkm1(:) & | |
| 700 | + -fnr(n-k)*fnr(n+k+1)*sbe2(:)*dkn1(:) & | |
| 701 | + -dble(k)*sbe(:)*dc(m1,kn,:))*fmn | |
| 702 | + dc(-m,nn1-k,:)=dc(m,kn,:)*(-1)**(k)*im | |
| 703 | + enddo | |
| 704 | + enddo | |
| 705 | + enddo | |
| 706 | + end subroutine rotcoefvecarg | |
| 707 | +! | |
| 708 | +! tau are the vector spherical harmonic functions, normalized | |
| 709 | +! | |
| 710 | +! | |
| 711 | +! last revised: 15 January 2011 | |
| 712 | +! | |
| 713 | + subroutine taufunc(cb,nmax,tau) | |
| 714 | + use numconstants | |
| 715 | + implicit none | |
| 716 | + integer :: nmax,n,m,p,nn1,mn | |
| 717 | + real(8) :: drot(-1:1,0:nmax*(nmax+2)),tau(0:nmax+1,nmax,2),cb,fnm | |
| 718 | + call rotcoef(cb,1,nmax,drot) | |
| 719 | + do n=1,nmax | |
| 720 | + nn1=n*(n+1) | |
| 721 | + fnm=sqrt(dble(n+n+1)/2.d0)/4.d0 | |
| 722 | + do m=-n,-1 | |
| 723 | + mn=nn1+m | |
| 724 | + tau(n+1,-m,1)=-fnm*(-drot(-1,mn)+drot(1,mn)) | |
| 725 | + tau(n+1,-m,2)=-fnm*(drot(-1,mn)+drot(1,mn)) | |
| 726 | + enddo | |
| 727 | + do m=0,n | |
| 728 | + mn=nn1+m | |
| 729 | + tau(m,n,1)=-fnm*(-drot(-1,mn)+drot(1,mn)) | |
| 730 | + tau(m,n,2)=-fnm*(drot(-1,mn)+drot(1,mn)) | |
| 731 | + enddo | |
| 732 | + enddo | |
| 733 | + end subroutine taufunc | |
| 734 | +! | |
| 735 | +! vector spherical harmonic function | |
| 736 | +! november 2011 | |
| 737 | +! | |
| 738 | + | |
| 739 | + subroutine pifunc(cb,ephi,nmax,ndim,pivec) | |
| 740 | + use numconstants | |
| 741 | + implicit none | |
| 742 | + integer :: nmax,n,m,p,nn1,mn,ndim | |
| 743 | + real(8) :: drot(-1:1,0:nmax*(nmax+2)),tau(2),cb,fnm | |
| 744 | + complex(8) :: pivec(0:ndim+1,ndim,2),ephi,ephim(-nmax:nmax),cin | |
| 745 | + call rotcoef(cb,1,nmax,drot) | |
| 746 | + ephim(0)=1.d0 | |
| 747 | + do m=1,nmax | |
| 748 | + ephim(m)=ephi*ephim(m-1) | |
| 749 | + ephim(-m)=dconjg(ephim(m)) | |
| 750 | + enddo | |
| 751 | + do n=1,nmax | |
| 752 | + cin=(0.d0,-1.d0)**(n+1) | |
| 753 | + nn1=n*(n+1) | |
| 754 | + fnm=sqrt(dble(n+n+1)/2.d0)/4.d0 | |
| 755 | + do m=-n,-1 | |
| 756 | + mn=nn1+m | |
| 757 | + tau(1)=-fnm*(-drot(-1,mn)+drot(1,mn)) | |
| 758 | + tau(2)=-fnm*(drot(-1,mn)+drot(1,mn)) | |
| 759 | + pivec(n+1,-m,1)=cin*tau(1)*ephim(m) | |
| 760 | + pivec(n+1,-m,2)=cin*tau(2)*ephim(m) | |
| 761 | + enddo | |
| 762 | + do m=0,n | |
| 763 | + mn=nn1+m | |
| 764 | + tau(1)=-fnm*(-drot(-1,mn)+drot(1,mn)) | |
| 765 | + tau(2)=-fnm*(drot(-1,mn)+drot(1,mn)) | |
| 766 | + pivec(m,n,1)=cin*tau(1)*ephim(m) | |
| 767 | + pivec(m,n,2)=cin*tau(2)*ephim(m) | |
| 768 | + enddo | |
| 769 | + enddo | |
| 770 | + end subroutine pifunc | |
| 771 | +! | |
| 772 | +! regular vswf expansion coefficients for a plane wave. | |
| 773 | +! alpha, beta: incident azimuth and polar angles. | |
| 774 | +! | |
| 775 | +! | |
| 776 | +! last revised: 15 January 2011 | |
| 777 | +! | |
| 778 | + subroutine planewavecoef(alpha,beta,nodr,pmnp0) | |
| 779 | + use numconstants | |
| 780 | + implicit none | |
| 781 | + integer :: nodr,m,n,p,k,ierr | |
| 782 | + real(8) :: alpha,beta,cb,sb,ca,sa | |
| 783 | + real(8), allocatable :: tau(:,:,:) | |
| 784 | + complex(8) :: ealpha,ci,cin | |
| 785 | + complex(8), allocatable :: ealpham(:) | |
| 786 | + complex(8) :: pmnp0(0:nodr+1,nodr,2,2) | |
| 787 | + data ci/(0.d0,1.d0)/ | |
| 788 | + call init(nodr) | |
| 789 | + allocate(ealpham(-nodr:nodr)) | |
| 790 | + allocate(tau(0:nodr+1,nodr,2)) | |
| 791 | + cb=cos(beta) | |
| 792 | + sb=sqrt((1.d0-cb)*(1.d0+cb)) | |
| 793 | + ca=cos(alpha) | |
| 794 | + sa=sin(alpha) | |
| 795 | + ealpha=dcmplx(ca,sa) | |
| 796 | + call taufunc(cb,nodr,tau) | |
| 797 | + call ephicoef(ealpha,nodr,ealpham) | |
| 798 | + do n=1,nodr | |
| 799 | + cin=4.d0*ci**(n+1) | |
| 800 | + do p=1,2 | |
| 801 | + do m=-n,-1 | |
| 802 | + pmnp0(n+1,-m,p,1)=-cin*tau(n+1,-m,p)*ealpham(-m) | |
| 803 | + pmnp0(n+1,-m,p,2)=ci*cin*tau(n+1,-m,3-p)*ealpham(-m) | |
| 804 | + enddo | |
| 805 | + do m=0,n | |
| 806 | + pmnp0(m,n,p,1)=-cin*tau(m,n,p)*ealpham(-m) | |
| 807 | + pmnp0(m,n,p,2)=ci*cin*tau(m,n,3-p)*ealpham(-m) | |
| 808 | + enddo | |
| 809 | + enddo | |
| 810 | + enddo | |
| 811 | + deallocate(ealpham,tau) | |
| 812 | + end subroutine planewavecoef | |
| 813 | +! | |
| 814 | +! regular vswf expansion coefficients for a gaussian beam, localized approximation. | |
| 815 | +! cbeam = 1/(k omega) | |
| 816 | +! | |
| 817 | +! | |
| 818 | +! last revised: 15 January 2011 | |
| 819 | +! | |
| 820 | + subroutine gaussianbeamcoef(alpha,beta,cbeam,nodr,pmnp0) | |
| 821 | + use numconstants | |
| 822 | + implicit none | |
| 823 | + integer :: nodr,m,n,p,k,ierr | |
| 824 | + real(8) :: alpha,beta,cbeam,gbn | |
| 825 | + complex(8) :: pmnp0(0:nodr+1,nodr,2,2) | |
| 826 | + call planewavecoef(alpha,beta,nodr,pmnp0) | |
| 827 | + do n=1,nodr | |
| 828 | + gbn=dexp(-((dble(n)+.5d0)*cbeam)**2.) | |
| 829 | + do p=1,2 | |
| 830 | + do k=1,2 | |
| 831 | + do m=-n,-1 | |
| 832 | + pmnp0(n+1,-m,p,k)=pmnp0(n+1,-m,p,k)*gbn | |
| 833 | + enddo | |
| 834 | + do m=0,n | |
| 835 | + pmnp0(m,n,p,k)=pmnp0(m,n,p,k)*gbn | |
| 836 | + enddo | |
| 837 | + enddo | |
| 838 | + enddo | |
| 839 | + enddo | |
| 840 | + end subroutine gaussianbeamcoef | |
| 841 | +! | |
| 842 | +! plane wave expansion coefficients at sphere origins. uses a phase shift. | |
| 843 | +! | |
| 844 | +! | |
| 845 | +! last revised: 15 January 2011 | |
| 846 | +! | |
| 847 | + subroutine sphereplanewavecoef(nsphere,neqns,nodr,nodrmax,alpha,beta,rpos,pmnp) | |
| 848 | + implicit none | |
| 849 | + integer :: m,n,p,nsphere,i,l,nodr(nsphere),nblk,nboff,nodrmax,neqns,k | |
| 850 | + real(8) :: alpha,beta,cb,sb,ca,sa,rpos(3,nsphere) | |
| 851 | + complex(8) :: ci,phasefac, pmnp(neqns,2) | |
| 852 | + complex(8) :: pmnp0(0:nodrmax+1,nodrmax,2,2) | |
| 853 | + data ci/(0.d0,1.d0)/ | |
| 854 | + call planewavecoef(alpha,beta,nodrmax,pmnp0) | |
| 855 | + cb=cos(beta) | |
| 856 | + sb=sqrt((1.d0-cb)*(1.d0+cb)) | |
| 857 | + ca=cos(alpha) | |
| 858 | + sa=sin(alpha) | |
| 859 | + l=0 | |
| 860 | + do i=1,nsphere | |
| 861 | + phasefac=cdexp(ci*((ca*rpos(1,i)+sa*rpos(2,i))*sb+rpos(3,i)*cb)) | |
| 862 | + do p=1,2 | |
| 863 | + do n=1,nodr(i) | |
| 864 | + do m=0,nodr(i)+1 | |
| 865 | + l=l+1 | |
| 866 | + do k=1,2 | |
| 867 | + pmnp(l,k)=phasefac*pmnp0(m,n,p,k) | |
| 868 | + enddo | |
| 869 | + enddo | |
| 870 | + enddo | |
| 871 | + enddo | |
| 872 | + enddo | |
| 873 | + end subroutine sphereplanewavecoef | |
| 874 | +! | |
| 875 | +! this computes the normalized translation coefficients for an | |
| 876 | +! axial translation of positive distance r. For itype=1 or 3, the translation | |
| 877 | +! uses the spherical Bessel or Hankel functions as a basis function, | |
| 878 | +! respectively. They are related to the coefficients appearing in | |
| 879 | +! M&M JOSA 96 by | |
| 880 | +! | |
| 881 | +! J^{ij}_{mnp mlq} = (E_{ml}/E_{mn})^(1/2) ac(s,n,l*(l+1)+m) | |
| 882 | +! | |
| 883 | +! where | |
| 884 | +! | |
| 885 | +! E_{mn} = n(n+1)(n+m)!/((2n+1)(n-m)!) | |
| 886 | +! s=mod(p+q,2)+1 (i.e., s=1 for the A coefficient, =2 for the B | |
| 887 | +! coefficient) | |
| 888 | +! | |
| 889 | +! The calculation procedure is based on the derivation | |
| 890 | +! of the addition theorem for vector harmonics, appearing in | |
| 891 | +! Fuller and Mackowski, proc. Light Scattering by Nonspherical | |
| 892 | +! Particles, NASA/GISS Sept. 1998. | |
| 893 | +! | |
| 894 | +! revised: 10 october 2011: used F90 vector arithmetic and precalculation | |
| 895 | +! of various constants. | |
| 896 | +! | |
| 897 | + subroutine axialtrancoef(itype,r,ri,nmax,lmax,ac) | |
| 898 | + use numconstants | |
| 899 | + implicit none | |
| 900 | + integer :: itype,nmax,lmax,n,l,m,p,w,n21,ll1,nlmin,lblk,wmin,wmax,ml | |
| 901 | + integer :: iadd,nlmax | |
| 902 | + integer, save :: nlmax0 | |
| 903 | + real(8) :: r | |
| 904 | + complex(8) :: ri,ci,z,xi(0:nmax+lmax) | |
| 905 | + complex(8) :: ac(nmax,lmax*(lmax+3)/2,2) | |
| 906 | + data ci,nlmax0/(0.d0,1.d0),0/ | |
| 907 | + nlmax=max(nmax,lmax) | |
| 908 | + if(nlmax.gt.nlmax0) then | |
| 909 | + nlmax0=nlmax | |
| 910 | + call axialtrancoefinit(nlmax) | |
| 911 | + endif | |
| 912 | + if(r.eq.0.d0) then | |
| 913 | + ac=(0.d0,0.d0) | |
| 914 | + if(itype.ne.1) return | |
| 915 | + do m=0,min(nmax,lmax) | |
| 916 | + do n=max(1,m),min(nmax,lmax) | |
| 917 | + iadd=atcadd(m,n,lmax) | |
| 918 | + ac(n,iadd,l)=1. | |
| 919 | + enddo | |
| 920 | + enddo | |
| 921 | + return | |
| 922 | + endif | |
| 923 | + z=r*ri | |
| 924 | + if(itype.eq.1) then | |
| 925 | + call cricbessel(nmax+lmax,z,xi) | |
| 926 | + else | |
| 927 | + call crichankel(nmax+lmax,z,xi) | |
| 928 | + endif | |
| 929 | + xi=xi/z | |
| 930 | + do n=1,nmax | |
| 931 | + do l=1,lmax | |
| 932 | + wmin=abs(n-l) | |
| 933 | + wmax=n+l | |
| 934 | + do m=0,min(n,l) | |
| 935 | + iadd=atcadd(m,l,lmax) | |
| 936 | + ml=l*(l+1)/2+m | |
| 937 | + ac(n,iadd,1)=sum(vcc_const(n,ml,wmin:wmax:2)*xi(wmin:wmax:2)) | |
| 938 | + ac(n,iadd,2)=ci*sum(vcc_const(n,ml,wmin+1:wmax-1:2)*xi(wmin+1:wmax-1:2)) | |
| 939 | + enddo | |
| 940 | + enddo | |
| 941 | + enddo | |
| 942 | + end subroutine axialtrancoef | |
| 943 | +! | |
| 944 | +! axial translation coefficients calculated by the diamond recurrence formula | |
| 945 | +! new: 10 october 2011 | |
| 946 | +! | |
| 947 | + subroutine axialtrancoefrecurrence(itype,r,ri,nmax,lmax,ac) | |
| 948 | + use numconstants | |
| 949 | + implicit none | |
| 950 | + integer :: itype,nmax,lmax,n,l,m,p,q,w,n21,ll1,nlmin,lblk, & | |
| 951 | + wmin,wmax,ml,m1,np1,nm1,iaddp1,iaddm1,lm1,lp1 | |
| 952 | + integer :: iadd,nlmax,iadd0,iadd1 | |
| 953 | + integer, save :: nlmax0 | |
| 954 | + real(8) :: r,fnp1,fn,fnm1,flp1,fl,flm1 | |
| 955 | + complex(8) :: ri,ci,z,xi(0:nmax+lmax) | |
| 956 | + complex(8) :: ac(nmax,lmax*(lmax+3)/2,2) | |
| 957 | + data ci,nlmax0/(0.d0,1.d0),0/ | |
| 958 | + nlmax=max(nmax,lmax) | |
| 959 | + nlmin=min(nmax,lmax) | |
| 960 | + if(nlmax.gt.nlmax0) then | |
| 961 | + nlmax0=nlmax | |
| 962 | + call axialtrancoefinit(nlmax) | |
| 963 | + endif | |
| 964 | + | |
| 965 | + if(r.eq.0.d0) then | |
| 966 | + ac=(0.d0,0.d0) | |
| 967 | + if(itype.ne.1) return | |
| 968 | + do m=0,nlmin | |
| 969 | + m1=max(1,m) | |
| 970 | + do n=m1,nlmin | |
| 971 | + iadd=atcadd(m,n,lmax) | |
| 972 | + ac(n,iadd,l)=1. | |
| 973 | + enddo | |
| 974 | + enddo | |
| 975 | + return | |
| 976 | + endif | |
| 977 | + z=r*ri | |
| 978 | + if(itype.eq.1) then | |
| 979 | + call cricbessel(nmax+lmax,z,xi) | |
| 980 | + else | |
| 981 | + call crichankel(nmax+lmax,z,xi) | |
| 982 | + endif | |
| 983 | + xi=xi/z | |
| 984 | + | |
| 985 | + lm1=lmax-1 | |
| 986 | + do m=0,nlmin | |
| 987 | + m1=max(1,abs(m)) | |
| 988 | + lp1=m1+1 | |
| 989 | + iadd0=atcadd(m,m1,lmax) | |
| 990 | + iadd1=atcadd(m,lmax,lmax) | |
| 991 | + iaddp1=iadd0+1 | |
| 992 | + iaddm1=iadd1-1 | |
| 993 | + | |
| 994 | + iadd=iadd0-1 | |
| 995 | + n=m1 | |
| 996 | + do l=m1,lmax | |
| 997 | + wmin=abs(n-l) | |
| 998 | + wmax=n+l | |
| 999 | + iadd=iadd+1 | |
| 1000 | + ml=l*(l+1)/2+m | |
| 1001 | + ac(n,iadd,1)=sum(vcc_const(n,ml,wmin:wmax:2)*xi(wmin:wmax:2)) | |
| 1002 | + ac(n,iadd,2)=ci*sum(vcc_const(n,ml,wmin+1:wmax-1:2)*xi(wmin+1:wmax-1:2)) | |
| 1003 | + enddo | |
| 1004 | + l=lmax | |
| 1005 | + iadd=iadd1 | |
| 1006 | + ml=l*(l+1)/2+m | |
| 1007 | + do n=m1+1,nmax | |
| 1008 | + wmin=abs(n-l) | |
| 1009 | + wmax=n+l | |
| 1010 | + ac(n,iadd,1)=sum(vcc_const(n,ml,wmin:wmax:2)*xi(wmin:wmax:2)) | |
| 1011 | + ac(n,iadd,2)=ci*sum(vcc_const(n,ml,wmin+1:wmax-1:2)*xi(wmin+1:wmax-1:2)) | |
| 1012 | + enddo | |
| 1013 | + if(m1.eq.nlmin) cycle | |
| 1014 | + | |
| 1015 | + do n=m1,nmax-1 | |
| 1016 | + np1=n+1 | |
| 1017 | + nm1=n-1 | |
| 1018 | + do p=1,2 | |
| 1019 | + q=3-p | |
| 1020 | + ac(np1,iadd0:iaddm1,p)= & | |
| 1021 | + - ac(n,iaddp1:iadd1,p)*fnp1_const(m,m1:lm1) & | |
| 1022 | + + (fn_const(m,m1:lm1)-fn_const(m,n))*ci*ac(n,iadd0:iaddm1,q) | |
| 1023 | + ac(np1,iaddp1:iaddm1,p)=ac(np1,iaddp1:iaddm1,p) & | |
| 1024 | + + ac(n,iadd0:iadd1-2,p)*fnm1_const(m,lp1:lm1) | |
| 1025 | + if(n.gt.m1) then | |
| 1026 | + ac(np1,iadd0:iaddm1,p)=ac(np1,iadd0:iaddm1,p) & | |
| 1027 | + + ac(nm1,iadd0:iaddm1,p)*fnm1_const(m,n) | |
| 1028 | + endif | |
| 1029 | + ac(np1,iadd0:iaddm1,p)=ac(np1,iadd0:iaddm1,p)/fnp1_const(m,n) | |
| 1030 | + enddo | |
| 1031 | + enddo | |
| 1032 | + enddo | |
| 1033 | + end subroutine axialtrancoefrecurrence | |
| 1034 | +! | |
| 1035 | +! constants for translation coefficient calculation | |
| 1036 | +! | |
| 1037 | + subroutine axialtrancoefinit(nmax) | |
| 1038 | + use numconstants | |
| 1039 | + implicit none | |
| 1040 | + integer :: nmax,m,n,l,w,n21,ml,ll1,wmin,wmax,nlmin,lp1,lm1 | |
| 1041 | + real(8) :: c1,c2,vc1(0:2*nmax),vc2(0:2*nmax),alnw | |
| 1042 | + complex(8) :: ci,inlw | |
| 1043 | + data ci/(0.d0,1.d0)/ | |
| 1044 | + if(allocated(vcc_const)) deallocate(vcc_const,fnm1_const,fn_const,fnp1_const) | |
| 1045 | + allocate(vcc_const(nmax,nmax*(nmax+1)/2+nmax,0:2*nmax),fnm1_const(0:nmax,nmax), & | |
| 1046 | + fn_const(0:nmax,nmax),fnp1_const(0:nmax,nmax)) | |
| 1047 | + do n=1,nmax | |
| 1048 | + n21=n+n+1 | |
| 1049 | + do l=1,nmax | |
| 1050 | + c1=fnr(n21)*fnr(l+l+1) | |
| 1051 | + ll1=l*(l+1)/2 | |
| 1052 | + call vcfunc(-1,n,1,l,vc2) | |
| 1053 | + wmin=abs(n-l) | |
| 1054 | + wmax=n+l | |
| 1055 | + nlmin=min(l,n) | |
| 1056 | + do m=0,nlmin | |
| 1057 | + ml=ll1+m | |
| 1058 | + c2=-c1*(-1)**m | |
| 1059 | + call vcfunc(-m,n,m,l,vc1) | |
| 1060 | + do w=wmin,wmax | |
| 1061 | + inlw=ci**(n-l+w) | |
| 1062 | + vcc_const(n,ml,w)=c2*vc1(w)*vc2(w)*(dble(inlw)+dimag(inlw)) | |
| 1063 | + enddo | |
| 1064 | + enddo | |
| 1065 | + enddo | |
| 1066 | + enddo | |
| 1067 | + fnm1_const=0. | |
| 1068 | + fn_const=0. | |
| 1069 | + fnp1_const=0. | |
| 1070 | + do m=0,nmax | |
| 1071 | + do l=max(1,m),nmax | |
| 1072 | + lp1=l+1 | |
| 1073 | + lm1=l-1 | |
| 1074 | + fnm1_const(m,l)=fnr(lm1)*fnr(lp1)*fnr(l-m)*fnr(l+m)/fnr(lm1+l)/fnr(l+lp1)/dble(l) | |
| 1075 | + fn_const(m,l)=dble(m)/dble(l)/dble(lp1) | |
| 1076 | + fnp1_const(m,l)=fnr(l)*fnr(l+2)*fnr(lp1-m)*fnr(lp1+m)/fnr(l+lp1)/fnr(l+l+3)/dble(lp1) | |
| 1077 | + enddo | |
| 1078 | + enddo | |
| 1079 | + end subroutine axialtrancoefinit | |
| 1080 | +! | |
| 1081 | +! test to determine convergence of regular vswf addition theorem for max. order lmax | |
| 1082 | +! and translation distance r w/ refractive index ri. | |
| 1083 | +! | |
| 1084 | +! | |
| 1085 | +! last revised: 15 January 2011 | |
| 1086 | +! | |
| 1087 | + subroutine tranordertest(r,ri,lmax,eps,nmax) | |
| 1088 | + use numconstants | |
| 1089 | + implicit none | |
| 1090 | + integer :: itype,nmax,lmax,n,l,m,p,w,n21,ll1,nlmin,lblk,wmin,wmax | |
| 1091 | + integer, parameter :: nlim=200 | |
| 1092 | + integer :: iadd | |
| 1093 | + real(8) :: r,alnw,sum,eps | |
| 1094 | + real(8) :: vc1(0:nlim+lmax) | |
| 1095 | + complex(8) :: ri,ci,z,a,b,c | |
| 1096 | + complex(8) :: xi(0:nlim+lmax) | |
| 1097 | + data ci/(0.d0,1.d0)/ | |
| 1098 | + if(r.eq.0.d0) then | |
| 1099 | + nmax=lmax | |
| 1100 | + return | |
| 1101 | + endif | |
| 1102 | + z=r*ri | |
| 1103 | + sum=0.d0 | |
| 1104 | + do n=1,nlim | |
| 1105 | + call init(n+lmax) | |
| 1106 | + call cricbessel(n+lmax,z,xi) | |
| 1107 | + do l=0,n+lmax | |
| 1108 | + xi(l)=xi(l)/z*ci**l | |
| 1109 | + enddo | |
| 1110 | + n21=n+n+1 | |
| 1111 | + l=lmax | |
| 1112 | + c=fnr(n21)*fnr(l+l+1)*ci**(n-l) | |
| 1113 | + call vcfunc(-1,n,1,l,vc1) | |
| 1114 | + wmin=abs(n-l) | |
| 1115 | + wmax=n+l | |
| 1116 | + m=1 | |
| 1117 | + a=0. | |
| 1118 | + b=0. | |
| 1119 | + do w=wmin,wmax | |
| 1120 | + alnw=vc1(w)*vc1(w) | |
| 1121 | + if(mod(n+l+w,2).eq.0) then | |
| 1122 | + a=a+alnw*xi(w) | |
| 1123 | + else | |
| 1124 | + b=b+alnw*xi(w) | |
| 1125 | + endif | |
| 1126 | + enddo | |
| 1127 | + a=c*a | |
| 1128 | + b=c*b | |
| 1129 | + sum=sum+a*conjg(a)+b*conjg(b) | |
| 1130 | + if(abs(1.d0-sum).lt.eps) exit | |
| 1131 | + enddo | |
| 1132 | + nmax=min(n,nlim) | |
| 1133 | + nmax=max(nmax,lmax) | |
| 1134 | + end subroutine tranordertest | |
| 1135 | +! | |
| 1136 | +! address for axial translation coefficient | |
| 1137 | +! | |
| 1138 | +! | |
| 1139 | +! last revised: 15 January 2011 | |
| 1140 | +! | |
| 1141 | + integer function atcadd(m,n,ntot) | |
| 1142 | + implicit none | |
| 1143 | + integer :: m,n,ntot | |
| 1144 | + atcadd=n-ntot+(max(1,m)*(1+2*ntot-max(1,m)))/2+ntot*min(1,m) | |
| 1145 | + end function atcadd | |
| 1146 | +! | |
| 1147 | +! gentrancoef: calculates the vwh translation coefficients for | |
| 1148 | +! a general translation from one origin to another | |
| 1149 | +! | |
| 1150 | +! input: itype: integer, =1, regular, =3, outgoing type harmonics | |
| 1151 | +! xptran: real, dim 3 vector: x,y,z components of translation, in units | |
| 1152 | +! of 1/k | |
| 1153 | +! ri: complex, refractive index of medium | |
| 1154 | +! nrow0,nrow1,ncol0,ncol1: integer, starting and stopping row and column order | |
| 1155 | +! iaddrow0,iaddcol0: address offset for row and column order (see below) | |
| 1156 | +! output: ac(p,mn,kl): complex translation matrix. calculated for mode p=1,2 (A or B type), | |
| 1157 | +! order n=nrow0,nrow1, degree m=-n,n | |
| 1158 | +! order l=ncol0,ncol1, degree k=-n,n | |
| 1159 | +! address is given by | |
| 1160 | +! mn=m+n*(n+1)-(nrow0-1)*(nrow0+1)+iaddrow0 | |
| 1161 | +! kl=k+l*(l+1)-(ncol0-1)*(ncol0+1)+iaddcol0 | |
| 1162 | +! that is, if iaddrow0=0 the address is mn=1 for n=nrow0 and m=-n. | |
| 1163 | +! | |
| 1164 | +! | |
| 1165 | +! last revised: 15 January 2011 | |
| 1166 | +! | |
| 1167 | + subroutine gentrancoef(itype,xptran,ri,nrow0,nrow1,ncol0,ncol1, & | |
| 1168 | + iaddrow0,iaddcol0,ac) | |
| 1169 | + use numconstants | |
| 1170 | + implicit none | |
| 1171 | + integer :: itype,nrow0,nrow1,ncol0,ncol1,iaddrow0,iaddcol0,kmax | |
| 1172 | + integer :: ntot,nblkr0,nblkr1,nblkc0,nblkc1 | |
| 1173 | + integer :: v,vw,w,wmax,wmin,n,l,m,k,p,nn1,ll1,mn,kl,m1m | |
| 1174 | + real(8) :: vc1(0:nrow1+ncol1),vc2(0:nrow1+ncol1),& | |
| 1175 | + xptran(3),r,ct,ct0 | |
| 1176 | + real(8) :: drot(0:0,0:(nrow1+ncol1)*(nrow1+ncol1+2)) | |
| 1177 | + complex(8) :: ri,ci,ephi,ac(2,nrow1*(nrow1+2)-(nrow0-1)*(nrow0+1)-iaddrow0,& | |
| 1178 | + ncol1*(ncol1+2)-(ncol0-1)*(ncol0+1)-iaddcol0),& | |
| 1179 | + z,c,a,b | |
| 1180 | + complex(8) :: ephim(-(nrow1+ncol1):nrow1+ncol1),jnc(0:nrow1+ncol1) | |
| 1181 | + data ci/(0.d0,1.d0)/ | |
| 1182 | + call cartosphere(xptran,r,ct,ephi) | |
| 1183 | + ntot=nrow1+ncol1 | |
| 1184 | + nblkr0=(nrow0-1)*(nrow0+1) | |
| 1185 | + nblkr1=nrow1*(nrow1+2) | |
| 1186 | + nblkc0=(ncol0-1)*(ncol0+1) | |
| 1187 | + nblkc1=ncol1*(ncol1+2) | |
| 1188 | + if(r.eq.0.d0) then | |
| 1189 | + do n=nblkr0+1,nblkr1 | |
| 1190 | + mn=n-nblkr0+iaddrow0 | |
| 1191 | + do l=nblkc0+1,nblkc1 | |
| 1192 | + kl=l-nblkc0+iaddcol0 | |
| 1193 | + do p=1,2 | |
| 1194 | + ac(p,mn,kl)=0.d0 | |
| 1195 | + enddo | |
| 1196 | + enddo | |
| 1197 | + if(n.gt.nblkc0.and.n.le.nblkc1.and.itype.eq.1) then | |
| 1198 | + ac(1,mn,n-nblkc0+iaddcol0)=1.d0 | |
| 1199 | + endif | |
| 1200 | + enddo | |
| 1201 | + return | |
| 1202 | + endif | |
| 1203 | + kmax=0 | |
| 1204 | + ct0=ct | |
| 1205 | + call rotcoef(ct0,kmax,ntot,drot) | |
| 1206 | + call ephicoef(ephi,ntot,ephim) | |
| 1207 | + z=ri*r | |
| 1208 | + if(itype.eq.1) then | |
| 1209 | + call cricbessel(ntot,z,jnc) | |
| 1210 | + else | |
| 1211 | + call crichankel(ntot,z,jnc) | |
| 1212 | + endif | |
| 1213 | + do n=0,ntot | |
| 1214 | + c=ci**n | |
| 1215 | + jnc(n)=c*jnc(n)/z | |
| 1216 | + enddo | |
| 1217 | + do l=ncol0,ncol1 | |
| 1218 | + ll1=l*(l+1) | |
| 1219 | + do n=nrow0,nrow1 | |
| 1220 | + nn1=n*(n+1) | |
| 1221 | + wmax=n+l | |
| 1222 | + call vcfunc(-1,n,1,l,vc2) | |
| 1223 | + c=-ci**(n-l)*fnr(n+n+1)*fnr(l+l+1) | |
| 1224 | + do k=-l,l | |
| 1225 | + kl=ll1+k-nblkc0+iaddcol0 | |
| 1226 | + do m=-n,n | |
| 1227 | + m1m=(-1)**m | |
| 1228 | + mn=nn1+m-nblkr0+iaddrow0 | |
| 1229 | + v=k-m | |
| 1230 | + call vcfunc(-m,n,k,l,vc1) | |
| 1231 | + a=0. | |
| 1232 | + b=0. | |
| 1233 | + wmin=max(abs(v),abs(n-l)) | |
| 1234 | + do w=wmax,wmin,-1 | |
| 1235 | + vw=w*(w+1)+v | |
| 1236 | + if(mod(wmax-w,2).eq.0) then | |
| 1237 | + a=a+vc1(w)*vc2(w)*jnc(w)*drot(0,vw) | |
| 1238 | + else | |
| 1239 | + b=b+vc1(w)*vc2(w)*jnc(w)*drot(0,vw) | |
| 1240 | + endif | |
| 1241 | + enddo | |
| 1242 | + ac(1,mn,kl)=a*c*m1m*ephim(v) | |
| 1243 | + ac(2,mn,kl)=b*c*m1m*ephim(v) | |
| 1244 | + enddo | |
| 1245 | + enddo | |
| 1246 | + enddo | |
| 1247 | + enddo | |
| 1248 | + return | |
| 1249 | + end subroutine gentrancoef | |
| 1250 | +! | |
| 1251 | +! cartosphere takes the cartesian point (x,y,z) = xp(1), xp(2), xp(3) | |
| 1252 | +! and converts to polar form: r: radius, ct: cos(theta), ep = exp(i phi) | |
| 1253 | +! | |
| 1254 | +! | |
| 1255 | +! last revised: 15 January 2011 | |
| 1256 | +! | |
| 1257 | + subroutine cartosphere(xp,r,ct,ep) | |
| 1258 | + implicit none | |
| 1259 | + real(8) :: xp(3),r,ct | |
| 1260 | + complex(8) :: ep | |
| 1261 | + r=xp(1)*xp(1)+xp(2)*xp(2)+xp(3)*xp(3) | |
| 1262 | + if(r.eq.0.d0) then | |
| 1263 | + ct=1.d0 | |
| 1264 | + ep=(1.d0,0.d0) | |
| 1265 | + return | |
| 1266 | + endif | |
| 1267 | + r=sqrt(r) | |
| 1268 | + ct=xp(3)/r | |
| 1269 | + if(xp(1).eq.0.d0.and.xp(2).eq.0.d0) then | |
| 1270 | + ep=(1.d0,0.d0) | |
| 1271 | + else | |
| 1272 | + ep=dcmplx(xp(1),xp(2))/sqrt(xp(1)*xp(1)+xp(2)*xp(2)) | |
| 1273 | + endif | |
| 1274 | + return | |
| 1275 | + end subroutine cartosphere | |
| 1276 | +! | |
| 1277 | +! ephicoef returns the complex array epm(m) = exp(i m phi) for | |
| 1278 | +! m=-nodr,nodr. ep =exp(i phi), and epm is dimensioned epm(-nd:nd) | |
| 1279 | +! | |
| 1280 | +! | |
| 1281 | +! last revised: 15 January 2011 | |
| 1282 | +! | |
| 1283 | + subroutine ephicoef(ep,nodr,epm) | |
| 1284 | + implicit none | |
| 1285 | + integer :: nodr,m | |
| 1286 | + complex(8) :: ep,epm(-nodr:nodr) | |
| 1287 | + epm(0)=(1.d0,0.d0) | |
| 1288 | + do m=1,nodr | |
| 1289 | + epm(m)=ep*epm(m-1) | |
| 1290 | + epm(-m)=dconjg(epm(m)) | |
| 1291 | + enddo | |
| 1292 | + return | |
| 1293 | + end subroutine ephicoef | |
| 1294 | +! | |
| 1295 | +! test to determine max order of vswf expansion of a plane wave at distance r | |
| 1296 | +! | |
| 1297 | +! | |
| 1298 | +! last revised: 15 January 2011 | |
| 1299 | +! | |
| 1300 | + subroutine planewavetruncationorder(r,eps,nodr) | |
| 1301 | + implicit none | |
| 1302 | + integer :: nodr,n1,n | |
| 1303 | + real(8) :: r,eps,err | |
| 1304 | + real(8), allocatable :: jn(:) | |
| 1305 | + complex(8) :: sum, ci,eir | |
| 1306 | + data ci/(0.d0,1.d0)/ | |
| 1307 | + n1=max(10,int(3.*r+1)) | |
| 1308 | + allocate(jn(0:n1)) | |
| 1309 | + call ricbessel(n1,r,-1.d0,n1,jn) | |
| 1310 | + jn(0:n1)=jn(0:n1)/r | |
| 1311 | + eir=cdexp(-ci*r) | |
| 1312 | + sum=jn(0)*eir | |
| 1313 | + do n=1,n1 | |
| 1314 | + sum=sum+ci**n*dble(n+n+1)*jn(n)*eir | |
| 1315 | + err=cdabs(1.d0-sum) | |
| 1316 | + if(err.lt.eps) then | |
| 1317 | + nodr=n | |
| 1318 | + deallocate(jn) | |
| 1319 | + return | |
| 1320 | + endif | |
| 1321 | + enddo | |
| 1322 | + nodr=n1 | |
| 1323 | + deallocate(jn) | |
| 1324 | + end subroutine planewavetruncationorder | |
| 1325 | +! | |
| 1326 | +! calculates the cartesian components of the vswf at position rpos, in ref. index ri. | |
| 1327 | +! | |
| 1328 | +! | |
| 1329 | +! original: 15 January 2011 | |
| 1330 | +! revised: 23 February 2011: multiplied by root 2 | |
| 1331 | +! | |
| 1332 | + subroutine vwhcalc(rpos,ri,nodr,itype,vwh) | |
| 1333 | + use numconstants | |
| 1334 | + implicit none | |
| 1335 | + integer :: nodr,itype,m,n,p,nodrp1,nodrm1,nn1,mn,np1,nm1,mp1,mm1,ndim, & | |
| 1336 | + nblkp | |
| 1337 | + integer, save :: nodrmax | |
| 1338 | + real(8) :: rpos(3),r,ct,fnorm1,fnorm2 | |
| 1339 | + real(8) pmn(0:0,0:(nodr+1)*(nodr+3)) | |
| 1340 | + complex(8) :: ci,vwh(3,2,1:*),ri,ephi,a,b,a1,b1,z1,a2,b2,z2 | |
| 1341 | + complex(8) :: a1vec(-nodr:nodr), & | |
| 1342 | + b1vec(-nodr:nodr),z1vec(-nodr:nodr),a2vec(-nodr:nodr), & | |
| 1343 | + b2vec(-nodr:nodr),z2vec(-nodr:nodr) | |
| 1344 | + complex(8) :: umn(-nodr-2:nodr+2,0:nodr+1), hn(0:nodr+1), ephim(-nodr-1:nodr+1) | |
| 1345 | + data ci,nodrmax/(0.d0,1.d0),0/ | |
| 1346 | + if(nodr.gt.nodrmax) then | |
| 1347 | + nodrmax=nodr | |
| 1348 | + call init(nodr+2) | |
| 1349 | + endif | |
| 1350 | + call cartosphere(rpos,r,ct,ephi) | |
| 1351 | + if(r.le.1.d-4) then | |
| 1352 | + vwh(:,:,1:nodr*(nodr+1))=(0.d0,0.d0) | |
| 1353 | + if(itype.eq.3) return | |
| 1354 | + vwh(1,1,1)=.5d0*fnr(2)/fnr(3) | |
| 1355 | + vwh(2,1,1)=-.5d0*ci*fnr(2)/fnr(3) | |
| 1356 | + vwh(3,1,2)=1.d0*fnr(2)/fnr(6) | |
| 1357 | + vwh(1,1,3)=-.5d0*fnr(2)/fnr(3) | |
| 1358 | + vwh(2,1,3)=-.5d0*ci*fnr(2)/fnr(3) | |
| 1359 | + return | |
| 1360 | + endif | |
| 1361 | + nodrp1=nodr+1 | |
| 1362 | + nodrm1=nodr-1 | |
| 1363 | + a=ri*r | |
| 1364 | + if(itype.eq.1) then | |
| 1365 | + call cricbessel(nodrp1,a,hn) | |
| 1366 | + else | |
| 1367 | + call crichankel(nodrp1,a,hn) | |
| 1368 | + endif | |
| 1369 | + hn(0:nodrp1)=hn(0:nodrp1)/a | |
| 1370 | + call rotcoef(ct,0,nodrp1,pmn) | |
| 1371 | + call ephicoef(ephi,nodrp1,ephim) | |
| 1372 | + umn=0.d0 | |
| 1373 | + umn(0,0)=hn(0)*fnr(2) | |
| 1374 | + do n=1,nodrp1 | |
| 1375 | + nn1=n*(n+1) | |
| 1376 | + umn(-n:n,n)=fnr(2)*pmn(0,nn1-n:nn1+n)*ephim(-n:n)*hn(n) | |
| 1377 | + umn(-n-1,n)=0.d0 | |
| 1378 | + umn(n+1,n)=0.d0 | |
| 1379 | + enddo | |
| 1380 | + do n=1,nodr | |
| 1381 | + nn1=n*(n+1) | |
| 1382 | + np1=n+1 | |
| 1383 | + nm1=n-1 | |
| 1384 | + a1vec(-n:n)=vwh_coef(-n:n,n,1,1)*umn(-nm1:np1,np1) & | |
| 1385 | + +vwh_coef(-n:n,n,1,-1)*umn(-nm1:np1,nm1) | |
| 1386 | + b1vec(-n:n)=vwh_coef(-n:n,n,-1,1)*umn(-np1:nm1,np1) & | |
| 1387 | + +vwh_coef(-n:n,n,-1,-1)*umn(-np1:nm1,nm1) | |
| 1388 | + z1vec(-n:n)=vwh_coef(-n:n,n,0,1)*umn(-n:n,np1) & | |
| 1389 | + +vwh_coef(-n:n,n,0,-1)*umn(-n:n,nm1) | |
| 1390 | + a2vec(-n:n)=vwh_coef(-n:n,n,1,0)*umn(-nm1:np1,n) | |
| 1391 | + b2vec(-n:n)=vwh_coef(-n:n,n,-1,0)*umn(-np1:nm1,n) | |
| 1392 | + z2vec(-n:n)=vwh_coef(-n:n,n,0,0)*umn(-n:n,n) | |
| 1393 | + vwh(1,1,nn1-n:nn1+n)=-0.5d0*(a1vec(-n:n)+b1vec(-n:n)) | |
| 1394 | + vwh(2,1,nn1-n:nn1+n)=-0.5d0*ci*(-a1vec(-n:n)+b1vec(-n:n)) | |
| 1395 | + vwh(3,1,nn1-n:nn1+n)=-z1vec(-n:n) | |
| 1396 | + vwh(1,2,nn1-n:nn1+n)=-0.5d0*ci*(a2vec(-n:n)+b2vec(-n:n)) | |
| 1397 | + vwh(2,2,nn1-n:nn1+n)=-0.5d0*(a2vec(-n:n)-b2vec(-n:n)) | |
| 1398 | + vwh(3,2,nn1-n:nn1+n)=-ci*z2vec(-n:n) | |
| 1399 | + enddo | |
| 1400 | + end subroutine vwhcalc | |
| 1401 | +! | |
| 1402 | +! svwf calculation for an axial translation | |
| 1403 | +! | |
| 1404 | +! | |
| 1405 | +! original: 15 January 2011 | |
| 1406 | +! revised: 23 February 2011: multiplied by root 2 | |
| 1407 | +! | |
| 1408 | + subroutine vwhaxialcalc(rpos,ri,nodr,itype,vwh) | |
| 1409 | + use numconstants | |
| 1410 | + implicit none | |
| 1411 | + integer :: nodr,itype,m,n,p,nodrp1,nodrm1,nn1,mn,np1,nm1,mp1,mm1,ndim, & | |
| 1412 | + nblkp | |
| 1413 | + integer, save :: nodrmax | |
| 1414 | + real(8) :: rpos(3),r,ct | |
| 1415 | + real(8) pmn(-2:2,0:nodr+1) | |
| 1416 | + complex(8) :: ci,vwh(3,2,2,1:nodr),ri,ephi,a,b,a1,b1,z1,a2,b2,z2 | |
| 1417 | + complex(8) :: umn(-2:2,0:nodr+1), hn(0:nodr+1), ephim(-2:2) | |
| 1418 | + data ci,nodrmax/(0.d0,1.d0),0/ | |
| 1419 | + if(nodr.gt.nodrmax) then | |
| 1420 | + nodrmax=nodr | |
| 1421 | + call init(nodr+2) | |
| 1422 | + endif | |
| 1423 | + call cartosphere(rpos,r,ct,ephi) | |
| 1424 | + if(r.le.1.d-4) then | |
| 1425 | + vwh(:,:,:,1:nodr)=(0.d0,0.d0) | |
| 1426 | + if(itype.eq.3) return | |
| 1427 | + vwh(1,1,1,1)=.5d0*fnr(2)/fnr(3) | |
| 1428 | + vwh(2,1,1,1)=-.5d0*ci*fnr(2)/fnr(3) | |
| 1429 | + vwh(1,1,2,1)=-.5d0*fnr(2)/fnr(3) | |
| 1430 | + vwh(2,1,2,1)=-.5d0*ci*fnr(2)/fnr(3) | |
| 1431 | + return | |
| 1432 | + endif | |
| 1433 | + nodrp1=nodr+1 | |
| 1434 | + nodrm1=nodr-1 | |
| 1435 | + a=ri*r | |
| 1436 | + if(itype.eq.1) then | |
| 1437 | + call cricbessel(nodrp1,a,hn) | |
| 1438 | + else | |
| 1439 | + call crichankel(nodrp1,a,hn) | |
| 1440 | + endif | |
| 1441 | + hn(0:nodrp1)=hn(0:nodrp1)/a | |
| 1442 | + call normalizedlegendre(ct,2,nodrp1,pmn) | |
| 1443 | + call ephicoef(ephi,2,ephim) | |
| 1444 | + umn(-2:2,0:nodrp1)=0.d0 | |
| 1445 | + umn(0,0)=hn(0)*fnr(2) | |
| 1446 | + do n=1,nodrp1 | |
| 1447 | + p=min(n,2) | |
| 1448 | + do m=-p,p | |
| 1449 | + umn(m,n)=fnr(2)*pmn(m,n)*ephim(m)*hn(n) | |
| 1450 | + enddo | |
| 1451 | + enddo | |
| 1452 | + vwh(:,:,:,1:nodr)=0.d0 | |
| 1453 | + do n=1,nodr | |
| 1454 | + np1=n+1 | |
| 1455 | + nm1=n-1 | |
| 1456 | + m=-1 | |
| 1457 | + mp1=m+1 | |
| 1458 | + mm1=m-1 | |
| 1459 | + a1=vwh_coef(m,n,1,1)*umn(mp1,np1) & | |
| 1460 | + +vwh_coef(m,n,1,-1)*umn(mp1,nm1) | |
| 1461 | + b1=vwh_coef(m,n,-1,1)*umn(mm1,np1) & | |
| 1462 | + +vwh_coef(m,n,-1,-1)*umn(mm1,nm1) | |
| 1463 | + z1=vwh_coef(m,n,0,1)*umn(m,np1) & | |
| 1464 | + +vwh_coef(m,n,0,-1)*umn(m,nm1) | |
| 1465 | + a2=vwh_coef(m,n,1,0)*umn(mp1,n) | |
| 1466 | + b2=vwh_coef(m,n,-1,0)*umn(mm1,n) | |
| 1467 | + z2=vwh_coef(m,n,0,0)*umn(m,n) | |
| 1468 | + vwh(1,1,1,n)=-0.5d0*(a1+b1) | |
| 1469 | + vwh(2,1,1,n)=-0.5d0*ci*(-a1+b1) | |
| 1470 | + vwh(3,1,1,n)=-z1 | |
| 1471 | + vwh(1,2,1,n)=-0.5d0*ci*(a2+b2) | |
| 1472 | + vwh(2,2,1,n)=-0.5d0*(a2-b2) | |
| 1473 | + vwh(3,2,1,n)=-ci*z2 | |
| 1474 | + m=1 | |
| 1475 | + mp1=m+1 | |
| 1476 | + mm1=m-1 | |
| 1477 | + a1=vwh_coef(m,n,1,1)*umn(mp1,np1) & | |
| 1478 | + +vwh_coef(m,n,1,-1)*umn(mp1,nm1) | |
| 1479 | + b1=vwh_coef(m,n,-1,1)*umn(mm1,np1) & | |
| 1480 | + +vwh_coef(m,n,-1,-1)*umn(mm1,nm1) | |
| 1481 | + z1=vwh_coef(m,n,0,1)*umn(m,np1) & | |
| 1482 | + +vwh_coef(m,n,0,-1)*umn(m,nm1) | |
| 1483 | + a2=vwh_coef(m,n,1,0)*umn(mp1,n) | |
| 1484 | + b2=vwh_coef(m,n,-1,0)*umn(mm1,n) | |
| 1485 | + z2=vwh_coef(m,n,0,0)*umn(m,n) | |
| 1486 | + vwh(1,1,2,n)=-0.5d0*(a1+b1) | |
| 1487 | + vwh(2,1,2,n)=-0.5d0*ci*(-a1+b1) | |
| 1488 | + vwh(3,1,2,n)=-z1 | |
| 1489 | + vwh(1,2,2,n)=-0.5d0*ci*(a2+b2) | |
| 1490 | + vwh(2,2,2,n)=-0.5d0*(a2-b2) | |
| 1491 | + vwh(3,2,2,n)=-ci*z2 | |
| 1492 | + enddo | |
| 1493 | + return | |
| 1494 | + end subroutine vwhaxialcalc | |
| 1495 | + | |
| 1496 | + end module specialfuncs | |
| 1497 | +! | |
| 1498 | +! module mpidata | |
| 1499 | +! | |
| 1500 | +! | |
| 1501 | +! last revised: 15 January 2011 | |
| 1502 | +! | |
| 1503 | + module mpidata | |
| 1504 | + implicit none | |
| 1505 | + integer :: group_comm,root_group_comm,base_rank,group_rank,root_group_rank, & | |
| 1506 | + base_group,number_groups,proc_per_group,number_proc | |
| 1507 | + integer, allocatable :: mpi_sphere_index(:), mpi_sphere_number(:) | |
| 1508 | + | |
| 1509 | + contains | |
| 1510 | +! | |
| 1511 | +! allocates the processors into groups | |
| 1512 | +! | |
| 1513 | +! last revised: 15 January 2011: original | |
| 1514 | +! 20 April 2011: fixedorran=0 now looks for 2 groups. | |
| 1515 | +! 10 october 2011: option for not storing matrices. If fixorran=0, 2 groups, else | |
| 1516 | +! nproc groups | |
| 1517 | +! november 2011: near and far field translation differentiation | |
| 1518 | +! | |
| 1519 | + subroutine mpisetup(nsphere,nodr,rpos,fixorran,maxmbperproc,istore, & | |
| 1520 | + nfdistance,fftranpresent,iunit) | |
| 1521 | + use mpidefs | |
| 1522 | + use intrinsics | |
| 1523 | + use specialfuncs | |
| 1524 | + implicit none | |
| 1525 | + integer :: nsphere,numprocs,ierr,i,iunit,nodr(nsphere),fixorran, & | |
| 1526 | + nodrmax,nodrmin,temp_comm,newgroup,j,rank,maxmbperproc, & | |
| 1527 | + istore,nfspheres,fftranpresent,ffspheres | |
| 1528 | + integer, allocatable :: grouplist1(:),grouplist2(:) | |
| 1529 | + real(8) :: memrow(nsphere),memtot,maxmemproc,memperproc | |
| 1530 | + real(8) :: fp,sum,rpos(3,*),nfdistance,rij(3),r,avenfspheres,rmax, & | |
| 1531 | + nfdistancei,aveffspheres | |
| 1532 | + maxmemproc=maxmbperproc*1.d6 | |
| 1533 | + call ms_mpi(mpi_command='size',mpi_size=numprocs) | |
| 1534 | + call ms_mpi(mpi_command='rank',mpi_rank=rank) | |
| 1535 | + call ms_mpi(mpi_command='group',mpi_group=base_group) | |
| 1536 | + base_rank=rank | |
| 1537 | + number_proc=numprocs | |
| 1538 | + memrow=0.d0 | |
| 1539 | + memtot=0.d0 | |
| 1540 | +! | |
| 1541 | +! compute the memory storage requirements | |
| 1542 | +! | |
| 1543 | + avenfspheres=0. | |
| 1544 | + aveffspheres=0. | |
| 1545 | + rmax=0. | |
| 1546 | + if(1.eq.1) then | |
| 1547 | + do i=1,nsphere | |
| 1548 | + nfspheres=0 | |
| 1549 | + do j=1,nsphere | |
| 1550 | + rij(:)=rpos(:,i)-rpos(:,j) | |
| 1551 | + if(j.ne.i) then | |
| 1552 | + if(nfdistance.lt.0.) then | |
| 1553 | + nfdistancei=(.5*dble(nodr(i)+nodr(j)))**2. | |
| 1554 | + else | |
| 1555 | + nfdistancei=nfdistance | |
| 1556 | + endif | |
| 1557 | + r=sqrt(dot_product(rij,rij)) | |
| 1558 | + rmax=max(rmax,r) | |
| 1559 | + if(r.le.nfdistancei) then | |
| 1560 | + nfspheres=nfspheres+1 | |
| 1561 | + nodrmax=max(nodr(j),nodr(i)) | |
| 1562 | + nodrmin=min(nodr(j),nodr(i)) | |
| 1563 | + memrow(i)=memrow(i)+(2*nodrmin+1)*(1+nodrmax*(nodrmax+2))*8.d0 | |
| 1564 | + memrow(i)=memrow(i)+nodr(i)*nodr(j)*(nodr(j)+3)*16.d0 | |
| 1565 | + memrow(i)=memrow(i)+(2*nodrmax+1)*16.d0 | |
| 1566 | + endif | |
| 1567 | + if(r.gt.nfdistancei.and.istore.eq.2) then | |
| 1568 | + memrow(i)=memrow(i)+2*nodrmax*(nodrmax+2)*16.d0 | |
| 1569 | + endif | |
| 1570 | + endif | |
| 1571 | + enddo | |
| 1572 | + ffspheres=nsphere-1-nfspheres | |
| 1573 | + avenfspheres=avenfspheres+nfspheres | |
| 1574 | + aveffspheres=aveffspheres+ffspheres | |
| 1575 | + memtot=memtot+memrow(i) | |
| 1576 | + enddo | |
| 1577 | + if(aveffspheres.eq.0) then | |
| 1578 | + fftranpresent=0 | |
| 1579 | + else | |
| 1580 | + fftranpresent=1 | |
| 1581 | + endif | |
| 1582 | + proc_per_group=ceiling(memtot/maxmemproc) | |
| 1583 | + proc_per_group=min(proc_per_group,numprocs) | |
| 1584 | + proc_per_group=max(proc_per_group,1) | |
| 1585 | + do | |
| 1586 | + if(mod(numprocs,proc_per_group).eq.0) exit | |
| 1587 | + if(proc_per_group.eq.numprocs) exit | |
| 1588 | + proc_per_group=proc_per_group+1 | |
| 1589 | + enddo | |
| 1590 | + endif | |
| 1591 | + avenfspheres=avenfspheres/dble(nsphere) | |
| 1592 | + if(rank.eq.0) then | |
| 1593 | + write(iunit,'('' average near field translations per sphere:'', f10.1)') avenfspheres | |
| 1594 | + call flush(iunit) | |
| 1595 | + endif | |
| 1596 | +! | |
| 1597 | +! no-store option | |
| 1598 | +! | |
| 1599 | + if(istore.eq.0) then | |
| 1600 | + if(fixorran.eq.0) then | |
| 1601 | + proc_per_group=max(floor(dble(numprocs)/2.),1) | |
| 1602 | + else | |
| 1603 | + proc_per_group=1 | |
| 1604 | + endif | |
| 1605 | + memrow=1.d0 | |
| 1606 | + memtot=dble(nsphere) | |
| 1607 | + else | |
| 1608 | +! | |
| 1609 | +! only one or two groups for fixed orientation | |
| 1610 | +! | |
| 1611 | + if(fixorran.eq.0) proc_per_group=max(floor(dble(numprocs)/2.),proc_per_group) | |
| 1612 | + endif | |
| 1613 | + number_groups=numprocs/proc_per_group | |
| 1614 | + if(allocated(mpi_sphere_index)) deallocate(mpi_sphere_index) | |
| 1615 | + if(allocated(mpi_sphere_number)) deallocate(mpi_sphere_number) | |
| 1616 | + allocate(mpi_sphere_index(0:proc_per_group-1),mpi_sphere_number(0:proc_per_group-1), & | |
| 1617 | + grouplist1(proc_per_group),grouplist2(number_groups)) | |
| 1618 | + memperproc=memtot/dble(proc_per_group) | |
| 1619 | +! | |
| 1620 | +! associate the spheres with the processors in a group | |
| 1621 | +! | |
| 1622 | + mpi_sphere_index(0)=0 | |
| 1623 | + do j=1,proc_per_group-1 | |
| 1624 | + memtot=0.d0 | |
| 1625 | + do i=1,nsphere | |
| 1626 | + memtot=memtot+memrow(i) | |
| 1627 | + if(memtot.gt.dble(j)*memperproc) then | |
| 1628 | + mpi_sphere_index(j)=i-1 | |
| 1629 | + exit | |
| 1630 | + endif | |
| 1631 | + enddo | |
| 1632 | + enddo | |
| 1633 | + do i=0,proc_per_group-2 | |
| 1634 | + mpi_sphere_number(i)=mpi_sphere_index(i+1)-mpi_sphere_index(i) | |
| 1635 | + enddo | |
| 1636 | + mpi_sphere_number(proc_per_group-1)=nsphere-mpi_sphere_index(proc_per_group-1) | |
| 1637 | +! | |
| 1638 | +! assign the sphere-based groups | |
| 1639 | +! | |
| 1640 | + do i=0,number_groups-1 | |
| 1641 | + do j=0,proc_per_group-1 | |
| 1642 | + grouplist1(j+1)=i*proc_per_group+j | |
| 1643 | + enddo | |
| 1644 | + call ms_mpi(mpi_command='incl',mpi_group=base_group,mpi_size=proc_per_group, & | |
| 1645 | + mpi_new_group_list=grouplist1,mpi_new_group=newgroup) | |
| 1646 | + call ms_mpi(mpi_command='create',mpi_group=newgroup,mpi_new_comm=temp_comm) | |
| 1647 | + if(rank.ge.grouplist1(1).and.rank.le.grouplist1(proc_per_group)) then | |
| 1648 | + group_comm=temp_comm | |
| 1649 | + endif | |
| 1650 | + grouplist2(i+1)=i*proc_per_group | |
| 1651 | + enddo | |
| 1652 | +! | |
| 1653 | +! make a group associated with the rank 0 members of the sphere groups | |
| 1654 | +! | |
| 1655 | + call ms_mpi(mpi_command='incl',mpi_group=base_group,mpi_size=number_groups, & | |
| 1656 | + mpi_new_group_list=grouplist2,mpi_new_group=newgroup) | |
| 1657 | + call ms_mpi(mpi_command='create',mpi_group=newgroup,mpi_new_comm=temp_comm) | |
| 1658 | + group_rank=mod(rank,proc_per_group) | |
| 1659 | + root_group_rank=floor(dble(rank)/dble(proc_per_group)) | |
| 1660 | + if(group_rank.eq.0) root_group_comm=temp_comm | |
| 1661 | + if(rank.eq.0) then | |
| 1662 | + if(istore.ge.1) then | |
| 1663 | + write(iunit,'('' number of processors, number groups, mb mem/processor:'',2i5,f9.3)') & | |
| 1664 | + numprocs,number_groups,memperproc*1.d-6 | |
| 1665 | + if(memperproc.gt.maxmemproc) then | |
| 1666 | + write(iunit,'('' warning: set maximum memory/processor is exceeded!!'')') | |
| 1667 | + endif | |
| 1668 | + else | |
| 1669 | + write(iunit,'('' number of processors, number groups:'',2i5)') & | |
| 1670 | + numprocs,number_groups | |
| 1671 | + endif | |
| 1672 | + call flush(iunit) | |
| 1673 | + endif | |
| 1674 | + deallocate(grouplist1,grouplist2) | |
| 1675 | + end subroutine mpisetup | |
| 1676 | + | |
| 1677 | + end module mpidata | |
| 1678 | + | |
| 1679 | +! | |
| 1680 | +! module spheredata: used to 1) input sphere data, 2) dimension sphere data | |
| 1681 | +! arrays, and 3) provide common access to the data in other subroutines. | |
| 1682 | +! | |
| 1683 | +! | |
| 1684 | +! last revised: 15 January 2011 | |
| 1685 | +! | |
| 1686 | +! 30 March 2011: added optical activity | |
| 1687 | +! | |
| 1688 | + module spheredata | |
| 1689 | + use specialfuncs | |
| 1690 | + use mpidata | |
| 1691 | + implicit none | |
| 1692 | + integer, private :: numberspheres,numberiterations,fixedorrandom,numbertheta, & | |
| 1693 | + calcnf,nfplane,calctmatrix,runprintunit,calcamn,maxmemperproc, & | |
| 1694 | + trackiterations,nfoutdata,normalizesm,storetranmat,niterstep, & | |
| 1695 | + fftranpresent | |
| 1696 | + real(8), private :: lengthscalefactor,realriscalefactor,imriscalefactor,epsmie, & | |
| 1697 | + epstran,epssoln,phideg,thetamindeg,thetamaxdeg,alphadeg, & | |
| 1698 | + betadeg,epstcon,nfplanepos,nfplanevert(2,2),deltax,gammadeg,epspw, & | |
| 1699 | + cgaussbeam,gaussbeamfocus(3),realchiralfactor,imchiralfactor,nfdistance | |
| 1700 | + character(30), private :: positionfile,outputfile,nfoutputfile,tmatrixfile,printfile, & | |
| 1701 | + amnfile | |
| 1702 | + real(8), private :: xspmax,xvsp | |
| 1703 | + real(8), private, allocatable :: rpos(:,:),xsp(:) | |
| 1704 | + complex(8), private, allocatable :: ri(:,:) | |
| 1705 | + data numberiterations,fixedorrandom,numbertheta/2000,0,181/ | |
| 1706 | + data calcamn,trackiterations,niterstep/1,1,20/ | |
| 1707 | + data lengthscalefactor,realriscalefactor,imriscalefactor,epsmie, & | |
| 1708 | + epstran,epssoln,phideg,thetamindeg,thetamaxdeg,alphadeg, & | |
| 1709 | + betadeg,epstcon/1.d0,1.d0,1.d0,1.d-4,1.d-6,1.d-10,0.d0,0.d0, & | |
| 1710 | + 180.d0,0.d0,0.d0,1.d-6/ | |
| 1711 | + data realchiralfactor,imchiralfactor/0.d0,0.d0/ | |
| 1712 | + data normalizesm,storetranmat,nfdistance/0,1,-1.d0/ | |
| 1713 | + data maxmemperproc/1500/ | |
| 1714 | + data cgaussbeam/0.d0/ | |
| 1715 | + data gaussbeamfocus/0.d0,0.d0,0.d0/ | |
| 1716 | + data calcnf,calctmatrix,nfoutdata/0,1,1/ | |
| 1717 | + data runprintunit/6/ | |
| 1718 | + data positionfile,outputfile,tmatrixfile,printfile/'at_bottom','test.dat','tmatrix-temp.dat',' '/ | |
| 1719 | + data nfoutputfile/'nf-temp.dat'/ | |
| 1720 | + data amnfile/'amn-temp.dat'/ | |
| 1721 | + | |
| 1722 | + contains | |
| 1723 | +! | |
| 1724 | +! Find the number of data points in input unit iunit, and reposition the unit to the | |
| 1725 | +! point after record containing parmid | |
| 1726 | +! | |
| 1727 | +! | |
| 1728 | +! last revised: 15 January 2011 | |
| 1729 | +! | |
| 1730 | + subroutine numberinrecord(iunit,parmid,numrec) | |
| 1731 | + implicit none | |
| 1732 | + integer :: numrec,iunit | |
| 1733 | + character*1 :: a | |
| 1734 | + character*35 :: parmid | |
| 1735 | + character*10 :: rec | |
| 1736 | + numrec=0 | |
| 1737 | + do | |
| 1738 | + read(iunit,"(a)",advance="no",err=100,eor=100) a | |
| 1739 | + if(a.ne.' '.and.a.ne.',') then | |
| 1740 | +! | |
| 1741 | +! start of a number | |
| 1742 | +! | |
| 1743 | + numrec=numrec+1 | |
| 1744 | +! | |
| 1745 | +! look for the delimeter | |
| 1746 | +! | |
| 1747 | + do | |
| 1748 | + read(iunit,"(a)",advance="no",err=100,eor=100) a | |
| 1749 | + if(a.eq.' '.or.a.eq.',') exit | |
| 1750 | + enddo | |
| 1751 | + endif | |
| 1752 | + enddo | |
| 1753 | +100 if(parmid.eq.'rewind') then | |
| 1754 | + rewind(iunit) | |
| 1755 | + else | |
| 1756 | + backspace(iunit) | |
| 1757 | + backspace(iunit) | |
| 1758 | + backspace(iunit) | |
| 1759 | + do | |
| 1760 | + read(iunit,'(a10)') rec | |
| 1761 | + if(rec.eq.parmid(1:10)) exit | |
| 1762 | + enddo | |
| 1763 | + endif | |
| 1764 | + end subroutine numberinrecord | |
| 1765 | +! | |
| 1766 | +! inputdata: reads parameters from inputfile | |
| 1767 | +! reads sphere data from position file | |
| 1768 | +! | |
| 1769 | +! | |
| 1770 | +! original: 15 January 2011 | |
| 1771 | +! revised: 21 February 2011: fix output file initialization. | |
| 1772 | +! 30 March 2011: added optical activity | |
| 1773 | +! | |
| 1774 | +! | |
| 1775 | + subroutine inputdata(inputfile,printdata) | |
| 1776 | + integer :: imax,i,j,ierr,iunit,numrec,nsphere,printdata | |
| 1777 | + real(8) :: rmax,rtoi,rposmean(3),rireal,riimag,dtemp,betareal,betaimag, & | |
| 1778 | + rij,xij(3),rijmax | |
| 1779 | + real(8), allocatable :: sdat(:) | |
| 1780 | + complex(8) :: ribulk,beta | |
| 1781 | + character*35 :: parmid | |
| 1782 | + character*30 :: inputfile | |
| 1783 | +! | |
| 1784 | +! cycle through parameter input operations | |
| 1785 | +! | |
| 1786 | + open(1,file=inputfile) | |
| 1787 | + do | |
| 1788 | + read(1,'(a)',end=10) parmid | |
| 1789 | + parmid=parmid(:index(parmid,' ')) | |
| 1790 | + if(parmid.eq.'number_spheres') then | |
| 1791 | + read(1,*) numberspheres | |
| 1792 | + cycle | |
| 1793 | + endif | |
| 1794 | + if(parmid.eq.'sphere_position_file') then | |
| 1795 | + read(1,'(a)') positionfile | |
| 1796 | + positionfile=positionfile(:index(positionfile,' ')) | |
| 1797 | + cycle | |
| 1798 | + endif | |
| 1799 | + if(parmid.eq.'output_file') then | |
| 1800 | + read(1,'(a)') outputfile | |
| 1801 | + outputfile=outputfile(:index(outputfile,' ')) | |
| 1802 | + cycle | |
| 1803 | + endif | |
| 1804 | + if(parmid.eq.'run_print_file') then | |
| 1805 | + read(1,'(a)') printfile | |
| 1806 | + printfile=printfile(:index(printfile,' ')) | |
| 1807 | + if(printdata.eq.1) then | |
| 1808 | + if((printfile.eq.' '.or.printfile.eq.'console')) then | |
| 1809 | + printfile=' ' | |
| 1810 | + runprintunit=6 | |
| 1811 | + else | |
| 1812 | + runprintunit=4 | |
| 1813 | + open(runprintunit,file=printfile) | |
| 1814 | + endif | |
| 1815 | + else | |
| 1816 | + runprintunit=6 | |
| 1817 | + endif | |
| 1818 | + cycle | |
| 1819 | + endif | |
| 1820 | + if(parmid.eq.'length_scale_factor') then | |
| 1821 | + read(1,*) lengthscalefactor | |
| 1822 | + cycle | |
| 1823 | + endif | |
| 1824 | + if(parmid.eq.'real_ref_index_scale_factor') then | |
| 1825 | + read(1,*) realriscalefactor | |
| 1826 | + cycle | |
| 1827 | + endif | |
| 1828 | + if(parmid.eq.'imag_ref_index_scale_factor') then | |
| 1829 | + read(1,*) imriscalefactor | |
| 1830 | + cycle | |
| 1831 | + endif | |
| 1832 | + if(parmid.eq.'real_chiral_factor') then | |
| 1833 | + read(1,*) realchiralfactor | |
| 1834 | + cycle | |
| 1835 | + endif | |
| 1836 | + if(parmid.eq.'imag_chiral_factor') then | |
| 1837 | + read(1,*) imchiralfactor | |
| 1838 | + cycle | |
| 1839 | + endif | |
| 1840 | + if(parmid.eq.'mie_epsilon') then | |
| 1841 | + read(1,*) epsmie | |
| 1842 | + cycle | |
| 1843 | + endif | |
| 1844 | + if(parmid.eq.'translation_epsilon') then | |
| 1845 | + read(1,*) epstran | |
| 1846 | + cycle | |
| 1847 | + endif | |
| 1848 | + if(parmid.eq.'solution_epsilon') then | |
| 1849 | + read(1,*) epssoln | |
| 1850 | + cycle | |
| 1851 | + endif | |
| 1852 | + if(parmid.eq.'max_number_iterations') then | |
| 1853 | + read(1,*) numberiterations | |
| 1854 | + cycle | |
| 1855 | + endif | |
| 1856 | + if(parmid.eq.'max_memory_per_processor') then | |
| 1857 | + read(1,*) maxmemperproc | |
| 1858 | + cycle | |
| 1859 | + endif | |
| 1860 | + if(parmid.eq.'store_translation_matrix') then | |
| 1861 | + read(1,*) storetranmat | |
| 1862 | + cycle | |
| 1863 | + endif | |
| 1864 | + if(parmid.eq.'near_field_distance') then | |
| 1865 | + read(1,*) nfdistance | |
| 1866 | + cycle | |
| 1867 | + endif | |
| 1868 | + if(parmid.eq.'iterations_per_correction') then | |
| 1869 | + read(1,*) niterstep | |
| 1870 | + cycle | |
| 1871 | + endif | |
| 1872 | + if(parmid.eq.'fixed_or_random_orientation') then | |
| 1873 | + read(1,*) fixedorrandom | |
| 1874 | + cycle | |
| 1875 | + endif | |
| 1876 | + if(parmid.eq.'scattering_plane_angle_deg') then | |
| 1877 | + read(1,*) phideg | |
| 1878 | + cycle | |
| 1879 | + endif | |
| 1880 | + if(parmid.eq.'min_scattering_angle_deg') then | |
| 1881 | + read(1,*) thetamindeg | |
| 1882 | + cycle | |
| 1883 | + endif | |
| 1884 | + if(parmid.eq.'max_scattering_angle_deg') then | |
| 1885 | + read(1,*) thetamaxdeg | |
| 1886 | + cycle | |
| 1887 | + endif | |
| 1888 | + if(parmid.eq.'number_scattering_angles') then | |
| 1889 | + read(1,*) numbertheta | |
| 1890 | + cycle | |
| 1891 | + endif | |
| 1892 | + if(parmid.eq.'normalize_scattering_matrix') then | |
| 1893 | + read(1,*) normalizesm | |
| 1894 | + cycle | |
| 1895 | + endif | |
| 1896 | + if(parmid.eq.'incident_azimuth_angle_deg') then | |
| 1897 | + read(1,*) alphadeg | |
| 1898 | + cycle | |
| 1899 | + endif | |
| 1900 | + if(parmid.eq.'incident_polar_angle_deg') then | |
| 1901 | + read(1,*) betadeg | |
| 1902 | + cycle | |
| 1903 | + endif | |
| 1904 | + if(parmid.eq.'calculate_scattering_coefficients') then | |
| 1905 | + read(1,*) calcamn | |
| 1906 | + cycle | |
| 1907 | + endif | |
| 1908 | + if(parmid.eq.'scattering_coefficient_file') then | |
| 1909 | + read(1,'(a)') amnfile | |
| 1910 | + if(amnfile.eq.' ') then | |
| 1911 | + amnfile='amn-temp.dat' | |
| 1912 | + else | |
| 1913 | + amnfile=amnfile(:index(amnfile,' ')) | |
| 1914 | + endif | |
| 1915 | + cycle | |
| 1916 | + endif | |
| 1917 | + if(parmid.eq.'track_iterations') then | |
| 1918 | + read(1,*) trackiterations | |
| 1919 | + cycle | |
| 1920 | + endif | |
| 1921 | + if(parmid.eq.'calculate_near_field') then | |
| 1922 | + read(1,*) calcnf | |
| 1923 | + cycle | |
| 1924 | + endif | |
| 1925 | + if(parmid.eq.'near_field_plane_coord') then | |
| 1926 | + read(1,*) nfplane | |
| 1927 | + cycle | |
| 1928 | + endif | |
| 1929 | + if(parmid.eq.'near_field_plane_position') then | |
| 1930 | + read(1,*) nfplanepos | |
| 1931 | + cycle | |
| 1932 | + endif | |
| 1933 | + if(parmid.eq.'near_field_plane_vertices') then | |
| 1934 | + read(1,*) nfplanevert | |
| 1935 | + cycle | |
| 1936 | + endif | |
| 1937 | + if(parmid.eq.'spacial_step_size') then | |
| 1938 | + read(1,*) deltax | |
| 1939 | + cycle | |
| 1940 | + endif | |
| 1941 | + if(parmid.eq.'polarization_angle_deg') then | |
| 1942 | + read(1,*) gammadeg | |
| 1943 | + cycle | |
| 1944 | + endif | |
| 1945 | + if(parmid.eq.'near_field_output_file') then | |
| 1946 | + read(1,'(a)') nfoutputfile | |
| 1947 | + if(nfoutputfile.eq.' ') then | |
| 1948 | + nfoutputfile='nf-temp.dat' | |
| 1949 | + else | |
| 1950 | + nfoutputfile=nfoutputfile(:index(nfoutputfile,' ')) | |
| 1951 | + endif | |
| 1952 | + cycle | |
| 1953 | + endif | |
| 1954 | + if(parmid.eq.'near_field_output_data') then | |
| 1955 | + read(1,*) nfoutdata | |
| 1956 | + cycle | |
| 1957 | + endif | |
| 1958 | + if(parmid.eq.'plane_wave_epsilon') then | |
| 1959 | + read(1,*) epspw | |
| 1960 | + cycle | |
| 1961 | + endif | |
| 1962 | + if(parmid.eq.'gaussian_beam_constant') then | |
| 1963 | + read(1,*) cgaussbeam | |
| 1964 | + cycle | |
| 1965 | + endif | |
| 1966 | + if(parmid.eq.'gaussian_beam_focal_point') then | |
| 1967 | + read(1,*) gaussbeamfocus | |
| 1968 | + cycle | |
| 1969 | + endif | |
| 1970 | + if(parmid.eq.'t_matrix_convergence_epsilon') then | |
| 1971 | + read(1,*) epstcon | |
| 1972 | + cycle | |
| 1973 | + endif | |
| 1974 | + if(parmid.eq.'calculate_t_matrix') then | |
| 1975 | + read(1,*) calctmatrix | |
| 1976 | + cycle | |
| 1977 | + endif | |
| 1978 | + if(parmid.eq.'t_matrix_file') then | |
| 1979 | + read(1,'(a)') tmatrixfile | |
| 1980 | + if(tmatrixfile.eq.' ') then | |
| 1981 | + tmatrixfile='tmatrix-temp.dat' | |
| 1982 | + else | |
| 1983 | + tmatrixfile=tmatrixfile(:index(tmatrixfile,' ')) | |
| 1984 | + endif | |
| 1985 | + cycle | |
| 1986 | + endif | |
| 1987 | + if(parmid.eq.'sphere_sizes_and_positions') exit | |
| 1988 | + if(parmid.eq.'end_of_options') exit | |
| 1989 | + write(*,'('' warning: unknown parameter ID:'',a35)') parmid | |
| 1990 | + enddo | |
| 1991 | +! | |
| 1992 | +! end of parameter input options. Input of sphere data follows | |
| 1993 | +! | |
| 1994 | +10 write(runprintunit,'('' input file is '',a30)') inputfile | |
| 1995 | + if(positionfile.ne.'at_bottom'.and.positionfile.ne.' ') then | |
| 1996 | + close(1) | |
| 1997 | + open(1,file=positionfile) | |
| 1998 | + parmid='rewind' | |
| 1999 | + endif | |
| 2000 | +! | |
| 2001 | +! find number of records in position file | |
| 2002 | +! | |
| 2003 | + call numberinrecord(1,parmid,numrec) | |
| 2004 | + if(printdata.eq.1) write(runprintunit,'('' position data has '',i3,'' records'')') numrec | |
| 2005 | + nsphere=numberspheres | |
| 2006 | + iunit=1 | |
| 2007 | + allocate(sdat(numrec)) | |
| 2008 | + allocate(xsp(0:nsphere),rpos(3,0:nsphere),ri(2,0:nsphere),stat=ierr) | |
| 2009 | + xvsp=0.d0 | |
| 2010 | + do i=1,nsphere | |
| 2011 | + read(iunit,*,end=20) sdat | |
| 2012 | + xsp(i)=sdat(1)*lengthscalefactor | |
| 2013 | + rpos(1:3,i)=sdat(2:4)*lengthscalefactor | |
| 2014 | + if(numrec.gt.4) then | |
| 2015 | + rireal=sdat(5)*realriscalefactor | |
| 2016 | + riimag=sdat(6)*imriscalefactor | |
| 2017 | + else | |
| 2018 | + rireal=realriscalefactor | |
| 2019 | + riimag=imriscalefactor | |
| 2020 | + endif | |
| 2021 | + if(numrec.gt.6) then | |
| 2022 | + betareal=sdat(7)*realchiralfactor | |
| 2023 | + betaimag=sdat(8)*imchiralfactor | |
| 2024 | + else | |
| 2025 | + betareal=realchiralfactor | |
| 2026 | + betaimag=imchiralfactor | |
| 2027 | + endif | |
| 2028 | + ribulk=dcmplx(rireal,riimag) | |
| 2029 | + beta=dcmplx(betareal,betaimag) | |
| 2030 | + if(beta.eq.(0.d0,0.d0)) then | |
| 2031 | + ri(1,i)=ribulk | |
| 2032 | + ri(2,i)=ribulk | |
| 2033 | + else | |
| 2034 | + ri(1,i)=ribulk/(1.d0-beta*ribulk) | |
| 2035 | + ri(2,i)=ribulk/(1.d0+beta*ribulk) | |
| 2036 | + endif | |
| 2037 | + xvsp=xvsp+xsp(i)**3.d0 | |
| 2038 | + enddo | |
| 2039 | +20 nsphere=min(nsphere,i-1) | |
| 2040 | + close(iunit) | |
| 2041 | + deallocate(sdat) | |
| 2042 | + if(nsphere.ne.numberspheres.and.printdata.eq.1) then | |
| 2043 | + write(runprintunit,'('' warning: insufficient position points in file.'')') | |
| 2044 | + write(runprintunit,'('' number of spheres truncated to:'',i5)') nsphere | |
| 2045 | + endif | |
| 2046 | +! | |
| 2047 | +! check for overlapping spheres, and find maximum translation | |
| 2048 | +! | |
| 2049 | + rijmax=0. | |
| 2050 | + do i=1,nsphere | |
| 2051 | + do j=i+1,nsphere | |
| 2052 | + xij=rpos(:,i)-rpos(:,j) | |
| 2053 | + rij=sqrt(dot_product(xij,xij)) | |
| 2054 | + rijmax=max(rijmax,rij) | |
| 2055 | + if(rij/(xsp(i)+xsp(j)).lt..999d0) then | |
| 2056 | + write(runprintunit,'('' warning: spheres '',i4,'' and '',i4 '' overlap. '',& | |
| 2057 | + & '' scaled distance:'' f8.4)') i,j,rij/(xsp(i)+xsp(j)) | |
| 2058 | + endif | |
| 2059 | + enddo | |
| 2060 | + enddo | |
| 2061 | + if(rijmax.gt.nfdistance) then | |
| 2062 | + fftranpresent=1 | |
| 2063 | + else | |
| 2064 | + fftranpresent=0 | |
| 2065 | + endif | |
| 2066 | + numberspheres=nsphere | |
| 2067 | + xvsp=xvsp**(1.d0/3.d0) | |
| 2068 | + gaussbeamfocus=gaussbeamfocus*lengthscalefactor | |
| 2069 | + if(nsphere.eq.1) then | |
| 2070 | + rposmean=rpos(:,1) | |
| 2071 | + rpos(:,1)=0.d0 | |
| 2072 | + xspmax=xsp(1) | |
| 2073 | + else | |
| 2074 | + rposmean=0.d0 | |
| 2075 | + do i=1,nsphere | |
| 2076 | + rposmean=rposmean+rpos(:,i) | |
| 2077 | + enddo | |
| 2078 | + rposmean=rposmean/dble(nsphere) | |
| 2079 | + rmax=0.d0 | |
| 2080 | +! | |
| 2081 | +! the target origin is defined as the GB focal point. | |
| 2082 | +! | |
| 2083 | + do i=1,nsphere | |
| 2084 | +! rpos(1:3,i)=rpos(1:3,i)-rposmean(1:3) | |
| 2085 | + rpos(1:3,i)=rpos(1:3,i)-gaussbeamfocus(1:3) | |
| 2086 | + rtoi=dot_product(rpos(:,i),rpos(:,i)) | |
| 2087 | + if(rtoi.gt.rmax) then | |
| 2088 | + rmax=rtoi | |
| 2089 | + imax=i | |
| 2090 | + endif | |
| 2091 | + enddo | |
| 2092 | + xspmax=sqrt(rmax)+xsp(imax) | |
| 2093 | + endif | |
| 2094 | +! | |
| 2095 | +! xsp(0) is the circumscribing sphere size parameter | |
| 2096 | +! | |
| 2097 | + xsp(0)=xspmax | |
| 2098 | + ri(1,0)=(1.d0,0.d0) | |
| 2099 | + ri(2,0)=(1.d0,0.d0) | |
| 2100 | + rpos(:,0)=0.d0 | |
| 2101 | +! | |
| 2102 | +! write run data to run file and output file | |
| 2103 | +! | |
| 2104 | + if(printdata.eq.1) then | |
| 2105 | + call writerundata(runprintunit) | |
| 2106 | + call flush(runprintunit) | |
| 2107 | + open(1,file=outputfile,status='replace',action='write') | |
| 2108 | + call writerundata(1) | |
| 2109 | + close(1) | |
| 2110 | + endif | |
| 2111 | + end subroutine inputdata | |
| 2112 | +! | |
| 2113 | +! writes run data to output unit iunit | |
| 2114 | +! | |
| 2115 | +! | |
| 2116 | +! last revised: 15 January 2011 | |
| 2117 | +! 30 March 2011: added optical activity | |
| 2118 | +! | |
| 2119 | + subroutine writerundata(iunit) | |
| 2120 | + implicit none | |
| 2121 | + integer :: iunit,i | |
| 2122 | + character*1 :: lf | |
| 2123 | + if(iunit.ne.1) then | |
| 2124 | + lf = ' ' | |
| 2125 | + else | |
| 2126 | + lf = '/' | |
| 2127 | + endif | |
| 2128 | + write(iunit,'('' number of spheres, volume size parameter:'' '//lf//',i5,e13.5)') & | |
| 2129 | + numberspheres,xvsp | |
| 2130 | + write(iunit,'('' position file:'' '//lf//',a)') positionfile | |
| 2131 | + write(iunit,'('' output file:'' '//lf//',a)') outputfile | |
| 2132 | + write(iunit,'('' length, ref. indx. scale factors:'' '//lf//',3f8.3)') lengthscalefactor, & | |
| 2133 | + realriscalefactor,imriscalefactor | |
| 2134 | + write(iunit,'('' chiral factors:'' '//lf//',2e13.5)') & | |
| 2135 | + realchiralfactor,imchiralfactor | |
| 2136 | + write(iunit,'('' thetamin, thetamax, num. theta:'' '//lf//',2f9.1,i5)') & | |
| 2137 | + thetamindeg,thetamaxdeg,numbertheta | |
| 2138 | + write(iunit,'('' epsmie, epssoln, max number iterations:'' '//lf//',2e12.4,i5)') epsmie, & | |
| 2139 | + epssoln, numberiterations | |
| 2140 | + if(fftranpresent.eq.1) then | |
| 2141 | + write(iunit,'('' far field kr, iterations/correction:'' '//lf//',e12.4,i5)') & | |
| 2142 | + nfdistance,niterstep | |
| 2143 | + else | |
| 2144 | + write(iunit,'('' all translations computed exactly'' '//lf//')') | |
| 2145 | + endif | |
| 2146 | + if(cgaussbeam.ne.0.d0) then | |
| 2147 | + write(iunit,'('' gaussian incident beam: 1/width:'' '//lf//',f9.4,)') cgaussbeam | |
| 2148 | + write(iunit,'('' beam focal point:'' '//lf//',3f9.3,)') gaussbeamfocus | |
| 2149 | + else | |
| 2150 | + write(iunit,'('' plane wave incidence'')') | |
| 2151 | + endif | |
| 2152 | + if(fixedorrandom.eq.0) then | |
| 2153 | + write(iunit,'('' fixed orientation calculations'')') | |
| 2154 | + write(iunit,'('' scattering plane, incident alpha, beta:'' '//lf//',3f9.2)') & | |
| 2155 | + phideg,alphadeg,betadeg | |
| 2156 | + write(iunit,'('' common expansion epsilon:'' '//lf//',e12.4)') epstran | |
| 2157 | + if(calcamn.eq.0) then | |
| 2158 | + write(iunit,'('' scattering coefficients read from file '' '//lf//',a)') amnfile | |
| 2159 | + else | |
| 2160 | + write(iunit,'('' scattering coefficients calculated, stored in file '' '//lf//',a)') amnfile | |
| 2161 | + endif | |
| 2162 | + if(calcnf.eq.1) then | |
| 2163 | + write(iunit,'('' near field calculated, stored in file '' '//lf//',a)') nfoutputfile | |
| 2164 | + write(iunit,'('' near field data output option: '' '//lf//',i4)') nfoutdata | |
| 2165 | + write(iunit,'('' near field plane, position: '' '//lf//', i4,f9.3)') nfplane, nfplanepos | |
| 2166 | + write(iunit,'('' near field plane vertices: '' '//lf//',4f9.3)') nfplanevert | |
| 2167 | + write(iunit,'('' spacial step size:'' '//lf//',f9.4)') deltax | |
| 2168 | + write(iunit,'('' polarization angle, deg.:'' '//lf//',f9.2)') gammadeg | |
| 2169 | + write(iunit,'('' plane wave epsilon:'' '//lf//',e13.5)') epspw | |
| 2170 | + endif | |
| 2171 | + else | |
| 2172 | + write(iunit,'('' random orientation calculations'')') | |
| 2173 | + if(calctmatrix.eq.0) then | |
| 2174 | + write(iunit,'('' t matrix read from file '' '//lf//',a)') tmatrixfile | |
| 2175 | + elseif(calctmatrix.eq.1) then | |
| 2176 | + write(iunit,'('' t matrix calculated, stored in file '' '//lf//',a)') tmatrixfile | |
| 2177 | + write(iunit,'('' t matrix convergence epsilon:'' '//lf//',e12.4)') epstcon | |
| 2178 | + else | |
| 2179 | + write(iunit,'('' t matrix calculated from end of file '' '//lf//',a)') tmatrixfile | |
| 2180 | + write(iunit,'('' t matrix convergence epsilon:'' '//lf//',e12.4)') epstcon | |
| 2181 | + endif | |
| 2182 | + endif | |
| 2183 | + end subroutine writerundata | |
| 2184 | +! | |
| 2185 | +! getspheredata: retrieves sphere data | |
| 2186 | +! | |
| 2187 | +! | |
| 2188 | +! last revised: 15 January 2011 | |
| 2189 | +! 30 March 2011: added optical activity | |
| 2190 | +! | |
| 2191 | + subroutine getspheredata(number_spheres, sphere_size_parameters, sphere_positions, & | |
| 2192 | + sphere_refractive_indices, volume_size_parameter) | |
| 2193 | + implicit none | |
| 2194 | + integer, optional :: number_spheres | |
| 2195 | + real(8), optional :: sphere_size_parameters(numberspheres), & | |
| 2196 | + sphere_positions(3,numberspheres), volume_size_parameter | |
| 2197 | + complex(8), optional :: sphere_refractive_indices(2,numberspheres) | |
| 2198 | + if (present(number_spheres)) number_spheres=numberspheres | |
| 2199 | + if (present(sphere_size_parameters)) sphere_size_parameters(1:numberspheres)=xsp(1:numberspheres) | |
| 2200 | + if (present(sphere_positions)) sphere_positions(:,1:numberspheres)=rpos(:,1:numberspheres) | |
| 2201 | + if (present(sphere_refractive_indices)) & | |
| 2202 | + sphere_refractive_indices(:,1:numberspheres)=ri(:,1:numberspheres) | |
| 2203 | + if (present(volume_size_parameter)) volume_size_parameter=xvsp | |
| 2204 | + end subroutine getspheredata | |
| 2205 | + | |
| 2206 | + subroutine getspheredataone(sphere,sphere_size_parameter, sphere_position, & | |
| 2207 | + sphere_refractive_index) | |
| 2208 | + implicit none | |
| 2209 | + integer :: sphere | |
| 2210 | + real(8), optional :: sphere_size_parameter,sphere_position(3) | |
| 2211 | + complex(8), optional :: sphere_refractive_index(2) | |
| 2212 | + if (present(sphere_size_parameter)) sphere_size_parameter=xsp(sphere) | |
| 2213 | + if (present(sphere_position)) sphere_position(:)=rpos(:,sphere) | |
| 2214 | + if (present(sphere_refractive_index)) & | |
| 2215 | + sphere_refractive_index(:)=ri(:,sphere) | |
| 2216 | + end subroutine getspheredataone | |
| 2217 | +! | |
| 2218 | +! setspheredata: sets sphere data | |
| 2219 | +! | |
| 2220 | + subroutine setspheredata(number_spheres, sphere_size_parameters, sphere_positions, & | |
| 2221 | + sphere_refractive_indices, volume_size_parameter) | |
| 2222 | + implicit none | |
| 2223 | + integer :: i | |
| 2224 | + integer, optional :: number_spheres | |
| 2225 | + real(8), optional :: sphere_size_parameters(*), & | |
| 2226 | + sphere_positions(3,*), volume_size_parameter | |
| 2227 | + complex(8), optional :: sphere_refractive_indices(2,*) | |
| 2228 | + if (present(number_spheres)) then | |
| 2229 | + numberspheres=number_spheres | |
| 2230 | + if(allocated(xsp)) deallocate(xsp,rpos,ri) | |
| 2231 | + allocate(xsp(0:numberspheres),rpos(3,0:numberspheres),ri(2,0:numberspheres)) | |
| 2232 | + endif | |
| 2233 | + if (present(sphere_size_parameters)) xsp(1:numberspheres) =sphere_size_parameters(1:numberspheres) | |
| 2234 | + if (present(sphere_positions)) rpos(:,1:numberspheres) =sphere_positions(:,1:numberspheres) | |
| 2235 | + if (present(sphere_refractive_indices)) ri(:,1:numberspheres) =sphere_refractive_indices(:,1:numberspheres) | |
| 2236 | + if (present(volume_size_parameter)) xvsp =volume_size_parameter | |
| 2237 | + end subroutine setspheredata | |
| 2238 | +! | |
| 2239 | +! getrunparameters: retrieves run parameters read from input file | |
| 2240 | +! | |
| 2241 | +! | |
| 2242 | +! last revised: 15 January 2011 | |
| 2243 | +! 30 March 2011: added optical activity | |
| 2244 | +! | |
| 2245 | + subroutine getrunparameters(number_spheres,sphere_position_file,output_file, & | |
| 2246 | + length_scale_factor,real_ref_index_scale_factor, & | |
| 2247 | + imag_ref_index_scale_factor,mie_epsilon,translation_epsilon,solution_epsilon, & | |
| 2248 | + max_number_iterations,fixed_or_random_orientation,scattering_plane_angle_deg, & | |
| 2249 | + min_scattering_angle_deg,max_scattering_angle_deg,number_scattering_angles, & | |
| 2250 | + incident_azimuth_angle_deg,incident_polar_angle_deg,calculate_near_field, & | |
| 2251 | + near_field_plane_coord,near_field_plane_position,near_field_plane_vertices, & | |
| 2252 | + spacial_step_size,polarization_angle_deg,near_field_output_file, & | |
| 2253 | + plane_wave_epsilon,t_matrix_convergence_epsilon,gaussian_beam_constant, & | |
| 2254 | + gaussian_beam_focal_point,calculate_t_matrix,t_matrix_file,run_print_file, & | |
| 2255 | + run_print_unit,calculate_scattering_coefficients,scattering_coefficient_file, & | |
| 2256 | + max_memory_per_processor,track_iterations,near_field_output_data, & | |
| 2257 | + real_chiral_factor,imag_chiral_factor,normalize_scattering_matrix, & | |
| 2258 | + store_translation_matrix,near_field_distance, & | |
| 2259 | + iterations_per_correction) | |
| 2260 | + implicit none | |
| 2261 | + integer, optional :: number_spheres,max_number_iterations,fixed_or_random_orientation, & | |
| 2262 | + number_scattering_angles,calculate_near_field,near_field_plane_coord, & | |
| 2263 | + calculate_t_matrix,run_print_unit,calculate_scattering_coefficients, & | |
| 2264 | + max_memory_per_processor,track_iterations,near_field_output_data, & | |
| 2265 | + normalize_scattering_matrix,store_translation_matrix, & | |
| 2266 | + iterations_per_correction | |
| 2267 | + real(8), optional :: length_scale_factor,real_ref_index_scale_factor, & | |
| 2268 | + imag_ref_index_scale_factor,mie_epsilon,translation_epsilon,solution_epsilon, & | |
| 2269 | + scattering_plane_angle_deg, & | |
| 2270 | + min_scattering_angle_deg,max_scattering_angle_deg, & | |
| 2271 | + incident_azimuth_angle_deg,incident_polar_angle_deg,t_matrix_convergence_epsilon, & | |
| 2272 | + near_field_plane_position,near_field_plane_vertices(2,2),spacial_step_size, & | |
| 2273 | + polarization_angle_deg,plane_wave_epsilon,gaussian_beam_constant, & | |
| 2274 | + gaussian_beam_focal_point(3),real_chiral_factor,imag_chiral_factor, & | |
| 2275 | + near_field_distance | |
| 2276 | + character*30, optional :: sphere_position_file,output_file,near_field_output_file, & | |
| 2277 | + t_matrix_file,run_print_file,scattering_coefficient_file | |
| 2278 | + if(present(number_spheres)) number_spheres =numberspheres | |
| 2279 | + if(present(sphere_position_file)) sphere_position_file =positionfile | |
| 2280 | + if(present(output_file)) output_file =outputfile | |
| 2281 | + if(present(length_scale_factor)) length_scale_factor =lengthscalefactor | |
| 2282 | + if(present(real_ref_index_scale_factor)) real_ref_index_scale_factor =realriscalefactor | |
| 2283 | + if(present(imag_ref_index_scale_factor)) imag_ref_index_scale_factor =imriscalefactor | |
| 2284 | + if(present(mie_epsilon)) mie_epsilon =epsmie | |
| 2285 | + if(present(translation_epsilon)) translation_epsilon =epstran | |
| 2286 | + if(present(solution_epsilon)) solution_epsilon =epssoln | |
| 2287 | + if(present(max_number_iterations)) max_number_iterations =numberiterations | |
| 2288 | + if(present(track_iterations)) track_iterations =trackiterations | |
| 2289 | + if(present(max_memory_per_processor)) max_memory_per_processor =maxmemperproc | |
| 2290 | + if(present(fixed_or_random_orientation)) fixed_or_random_orientation =fixedorrandom | |
| 2291 | + if(present(scattering_plane_angle_deg)) scattering_plane_angle_deg =phideg | |
| 2292 | + if(present(min_scattering_angle_deg)) min_scattering_angle_deg =thetamindeg | |
| 2293 | + if(present(max_scattering_angle_deg)) max_scattering_angle_deg =thetamaxdeg | |
| 2294 | + if(present(number_scattering_angles)) number_scattering_angles =numbertheta | |
| 2295 | + if(present(normalize_scattering_matrix)) normalize_scattering_matrix =normalizesm | |
| 2296 | + if(present(incident_azimuth_angle_deg)) incident_azimuth_angle_deg =alphadeg | |
| 2297 | + if(present(incident_polar_angle_deg)) incident_polar_angle_deg =betadeg | |
| 2298 | + if(present(t_matrix_convergence_epsilon)) t_matrix_convergence_epsilon =epstcon | |
| 2299 | + if(present(calculate_near_field)) calculate_near_field =calcnf | |
| 2300 | + if(present(near_field_plane_coord)) near_field_plane_coord =nfplane | |
| 2301 | + if(present(near_field_plane_position)) near_field_plane_position =nfplanepos | |
| 2302 | + if(present(near_field_plane_vertices)) near_field_plane_vertices =nfplanevert | |
| 2303 | + if(present(spacial_step_size)) spacial_step_size =deltax | |
| 2304 | + if(present(polarization_angle_deg)) polarization_angle_deg =gammadeg | |
| 2305 | + if(present(near_field_output_file)) near_field_output_file =nfoutputfile | |
| 2306 | + if(present(near_field_output_data)) near_field_output_data =nfoutdata | |
| 2307 | + if(present(plane_wave_epsilon)) plane_wave_epsilon =epspw | |
| 2308 | + if(present(gaussian_beam_constant)) gaussian_beam_constant =cgaussbeam | |
| 2309 | + if(present(gaussian_beam_focal_point)) gaussian_beam_focal_point =gaussbeamfocus | |
| 2310 | + if(present(t_matrix_file)) t_matrix_file =tmatrixfile | |
| 2311 | + if(present(calculate_t_matrix)) calculate_t_matrix =calctmatrix | |
| 2312 | + if(present(run_print_file)) run_print_file =printfile | |
| 2313 | + if(present(run_print_unit)) run_print_unit =runprintunit | |
| 2314 | + if(present(calculate_scattering_coefficients)) calculate_scattering_coefficients =calcamn | |
| 2315 | + if(present(scattering_coefficient_file)) scattering_coefficient_file =amnfile | |
| 2316 | + if(present(real_chiral_factor)) real_chiral_factor =realchiralfactor | |
| 2317 | + if(present(imag_chiral_factor)) imag_chiral_factor =imchiralfactor | |
| 2318 | + if(present(store_translation_matrix)) store_translation_matrix =storetranmat | |
| 2319 | + if(present(near_field_distance)) near_field_distance =nfdistance | |
| 2320 | + if(present(iterations_per_correction)) iterations_per_correction =niterstep | |
| 2321 | + end subroutine getrunparameters | |
| 2322 | +! | |
| 2323 | +! set run parameters: set run parameters | |
| 2324 | +! | |
| 2325 | +! | |
| 2326 | +! last revised: 15 January 2011 | |
| 2327 | +! 30 March 2011: added optical activity | |
| 2328 | +! | |
| 2329 | + subroutine setrunparameters(number_spheres,sphere_position_file,output_file, & | |
| 2330 | + length_scale_factor,real_ref_index_scale_factor, & | |
| 2331 | + imag_ref_index_scale_factor,mie_epsilon,translation_epsilon,solution_epsilon, & | |
| 2332 | + max_number_iterations,fixed_or_random_orientation,scattering_plane_angle_deg, & | |
| 2333 | + min_scattering_angle_deg,max_scattering_angle_deg,number_scattering_angles, & | |
| 2334 | + incident_azimuth_angle_deg,incident_polar_angle_deg,calculate_near_field, & | |
| 2335 | + near_field_plane_coord,near_field_plane_position,near_field_plane_vertices, & | |
| 2336 | + spacial_step_size,polarization_angle_deg,near_field_output_file, & | |
| 2337 | + plane_wave_epsilon,t_matrix_convergence_epsilon,gaussian_beam_constant, & | |
| 2338 | + gaussian_beam_focal_point,calculate_t_matrix,t_matrix_file,run_print_file, & | |
| 2339 | + run_print_unit,calculate_scattering_coefficients,scattering_coefficient_file, & | |
| 2340 | + max_memory_per_processor,track_iterations,near_field_output_data, & | |
| 2341 | + real_chiral_factor,imag_chiral_factor,store_translation_matrix, & | |
| 2342 | + near_field_distance,iterations_per_correction) | |
| 2343 | + implicit none | |
| 2344 | + integer, optional :: number_spheres,max_number_iterations,fixed_or_random_orientation, & | |
| 2345 | + number_scattering_angles,calculate_near_field,near_field_plane_coord, & | |
| 2346 | + calculate_t_matrix,run_print_unit,calculate_scattering_coefficients, & | |
| 2347 | + max_memory_per_processor,track_iterations,near_field_output_data, & | |
| 2348 | + store_translation_matrix,iterations_per_correction | |
| 2349 | + real(8), optional :: length_scale_factor,real_ref_index_scale_factor, & | |
| 2350 | + imag_ref_index_scale_factor,mie_epsilon,translation_epsilon,solution_epsilon, & | |
| 2351 | + scattering_plane_angle_deg,near_field_distance,& | |
| 2352 | + min_scattering_angle_deg,max_scattering_angle_deg, & | |
| 2353 | + incident_azimuth_angle_deg,incident_polar_angle_deg,t_matrix_convergence_epsilon, & | |
| 2354 | + near_field_plane_position,near_field_plane_vertices(2,2),spacial_step_size, & | |
| 2355 | + polarization_angle_deg,plane_wave_epsilon,gaussian_beam_constant, & | |
| 2356 | + gaussian_beam_focal_point(3),real_chiral_factor,imag_chiral_factor | |
| 2357 | + character*30, optional :: sphere_position_file,output_file,near_field_output_file, & | |
| 2358 | + t_matrix_file,run_print_file,scattering_coefficient_file | |
| 2359 | + | |
| 2360 | + if(present(number_spheres)) numberspheres =number_spheres | |
| 2361 | + if(present(sphere_position_file)) positionfile =sphere_position_file | |
| 2362 | + if(present(output_file)) outputfile =output_file | |
| 2363 | + if(present(length_scale_factor)) lengthscalefactor =length_scale_factor | |
| 2364 | + if(present(real_ref_index_scale_factor)) realriscalefactor =real_ref_index_scale_factor | |
| 2365 | + if(present(imag_ref_index_scale_factor)) imriscalefactor =imag_ref_index_scale_factor | |
| 2366 | + if(present(mie_epsilon)) epsmie =mie_epsilon | |
| 2367 | + if(present(translation_epsilon)) epstran =translation_epsilon | |
| 2368 | + if(present(solution_epsilon)) epssoln =solution_epsilon | |
| 2369 | + if(present(max_number_iterations)) numberiterations =max_number_iterations | |
| 2370 | + if(present(track_iterations)) trackiterations =track_iterations | |
| 2371 | + if(present(max_memory_per_processor)) maxmemperproc =max_memory_per_processor | |
| 2372 | + if(present(fixed_or_random_orientation)) fixedorrandom =fixed_or_random_orientation | |
| 2373 | + if(present(scattering_plane_angle_deg)) phideg =scattering_plane_angle_deg | |
| 2374 | + if(present(min_scattering_angle_deg)) thetamindeg =min_scattering_angle_deg | |
| 2375 | + if(present(max_scattering_angle_deg)) thetamaxdeg =max_scattering_angle_deg | |
| 2376 | + if(present(number_scattering_angles)) numbertheta =number_scattering_angles | |
| 2377 | + if(present(incident_azimuth_angle_deg)) alphadeg =incident_azimuth_angle_deg | |
| 2378 | + if(present(incident_polar_angle_deg)) betadeg =incident_polar_angle_deg | |
| 2379 | + if(present(t_matrix_convergence_epsilon)) epstcon =t_matrix_convergence_epsilon | |
| 2380 | + if(present(calculate_near_field)) calcnf =calculate_near_field | |
| 2381 | + if(present(near_field_plane_coord)) nfplane =near_field_plane_coord | |
| 2382 | + if(present(near_field_plane_position)) nfplanepos =near_field_plane_position | |
| 2383 | + if(present(near_field_plane_vertices)) nfplanevert =near_field_plane_vertices | |
| 2384 | + if(present(spacial_step_size)) deltax =spacial_step_size | |
| 2385 | + if(present(polarization_angle_deg)) gammadeg =polarization_angle_deg | |
| 2386 | + if(present(near_field_output_file)) nfoutputfile =near_field_output_file | |
| 2387 | + if(present(near_field_output_data)) nfoutdata =near_field_output_data | |
| 2388 | + if(present(plane_wave_epsilon)) epspw =plane_wave_epsilon | |
| 2389 | + if(present(gaussian_beam_constant)) cgaussbeam =gaussian_beam_constant | |
| 2390 | + if(present(gaussian_beam_focal_point)) gaussbeamfocus =gaussian_beam_focal_point | |
| 2391 | + if(present(t_matrix_file)) tmatrixfile =t_matrix_file | |
| 2392 | + if(present(calculate_t_matrix)) calctmatrix =calculate_t_matrix | |
| 2393 | + if(present(run_print_file)) printfile =run_print_file | |
| 2394 | + if(present(run_print_unit)) runprintunit =run_print_unit | |
| 2395 | + if(present(calculate_scattering_coefficients)) calcamn =calculate_scattering_coefficients | |
| 2396 | + if(present(scattering_coefficient_file)) amnfile =scattering_coefficient_file | |
| 2397 | + if(present(real_chiral_factor)) realchiralfactor =real_chiral_factor | |
| 2398 | + if(present(imag_chiral_factor)) imchiralfactor =imag_chiral_factor | |
| 2399 | + if(present(store_translation_matrix)) storetranmat =store_translation_matrix | |
| 2400 | + if(present(near_field_distance)) nfdistance =near_field_distance | |
| 2401 | + if(present(iterations_per_correction)) niterstep =iterations_per_correction | |
| 2402 | + end subroutine setrunparameters | |
| 2403 | + | |
| 2404 | + end module spheredata | |
| 2405 | +! | |
| 2406 | +! module miecoefdata: used to 1) calculate single sphere mie coefficient values, | |
| 2407 | +! 2) store values in an allocated array, 3) provide common access to values, and | |
| 2408 | +! 4) perform multiplication of coefficient values with vectors containing VWH scattering | |
| 2409 | +! coefficients. | |
| 2410 | +! | |
| 2411 | +! | |
| 2412 | +! last revised: 15 January 2011 | |
| 2413 | +! 30 March 2011: added optical activity | |
| 2414 | +! | |
| 2415 | + module miecoefdata | |
| 2416 | + implicit none | |
| 2417 | + integer, private :: numeqns,maxorder | |
| 2418 | + integer, allocatable, private :: nodr(:),nodroffset(:),nblk(:),nblkoffset(:) | |
| 2419 | + real(8), allocatable, private :: qextmie(:),qabsmie(:) | |
| 2420 | + complex(8), allocatable, private :: anmie(:,:,:),cnmie(:,:,:) | |
| 2421 | + interface getmiedata | |
| 2422 | + module procedure getmiedataall, getmiedataone | |
| 2423 | + end interface getmiedata | |
| 2424 | + | |
| 2425 | + contains | |
| 2426 | +! | |
| 2427 | +! calculation of the max order of sphere expansions and storage of mie coefficients | |
| 2428 | +! | |
| 2429 | +! | |
| 2430 | +! last revised: 15 January 2011 | |
| 2431 | +! 30 March 2011: added optical activity | |
| 2432 | +! | |
| 2433 | + subroutine miecoefcalc(nsphere,xsp,ri,qeps) | |
| 2434 | + implicit none | |
| 2435 | + integer :: n,nodrn,nsphere,nodrtot,ierr,nblktot | |
| 2436 | + real(8) :: qext,qabs,qsca,qeps,xsp(nsphere) | |
| 2437 | + complex(8) :: ri(2,nsphere) | |
| 2438 | + complex(8), allocatable :: anp(:,:,:),cnp(:,:,:) | |
| 2439 | + if(allocated(nodr)) deallocate(nodr,nodroffset,nblk, & | |
| 2440 | + nblkoffset,qextmie,qabsmie) | |
| 2441 | + allocate(nodr(nsphere),nodroffset(nsphere+1), & | |
| 2442 | + nblk(nsphere),nblkoffset(nsphere+1), & | |
| 2443 | + qextmie(nsphere),qabsmie(nsphere),stat=ierr) | |
| 2444 | + if(ierr.ne.0) then | |
| 2445 | + write(*,'('' bad allocation in nodr: stat:'',i4)') ierr | |
| 2446 | + endif | |
| 2447 | + nodrtot=0 | |
| 2448 | + nblktot=0 | |
| 2449 | + maxorder=0 | |
| 2450 | +! | |
| 2451 | +! calculate the order limits and efficiencies | |
| 2452 | +! | |
| 2453 | + do n=1,nsphere | |
| 2454 | + call mieoa(xsp(n),ri(1,n),nodrn,qeps,qext,qsca) | |
| 2455 | + nodroffset(n)=nodrtot | |
| 2456 | + nblkoffset(n)=nblktot | |
| 2457 | + nodr(n)=nodrn | |
| 2458 | + maxorder=max(maxorder,nodrn) | |
| 2459 | + nblk(n)=nodrn*(nodrn+2)*2 | |
| 2460 | + nodrtot=nodrtot+nodrn | |
| 2461 | + nblktot=nblktot+nblk(n) | |
| 2462 | + qextmie(n)=qext | |
| 2463 | + qabsmie(n)=qext-qsca | |
| 2464 | + enddo | |
| 2465 | + nodroffset(nsphere+1)=nodrtot | |
| 2466 | + nblkoffset(nsphere+1)=nblktot | |
| 2467 | + numeqns=nblktot | |
| 2468 | +! | |
| 2469 | +! calculate the mie coefficients, and store in memory | |
| 2470 | +! | |
| 2471 | + if(allocated(anmie)) deallocate(anmie,cnmie) | |
| 2472 | + allocate(anmie(2,2,nodrtot),cnmie(2,2,nodrtot),stat=ierr) | |
| 2473 | + if(ierr.ne.0) then | |
| 2474 | + write(*,'('' bad allocation in anmie: stat:'',i4)') ierr | |
| 2475 | + endif | |
| 2476 | + do n=1,nsphere | |
| 2477 | + if(abs(ri(1,n)-ri(2,n)).eq.0) then | |
| 2478 | + allocate(anp(2,1,nodr(n)),cnp(2,1,nodr(n))) | |
| 2479 | + call mieregular(xsp(n),ri(1,n),nodrn,qeps,qext,qsca,anp_mie=anp,cnp_mie=cnp) | |
| 2480 | + anmie(1,1,nodroffset(n)+1:nodroffset(n+1))=anp(1,1,1:nodr(n)) | |
| 2481 | + anmie(2,2,nodroffset(n)+1:nodroffset(n+1))=anp(2,1,1:nodr(n)) | |
| 2482 | + anmie(1,2,nodroffset(n)+1:nodroffset(n+1))=0.d0 | |
| 2483 | + anmie(2,1,nodroffset(n)+1:nodroffset(n+1))=0.d0 | |
| 2484 | + cnmie(1,1,nodroffset(n)+1:nodroffset(n+1))=cnp(1,1,1:nodr(n)) | |
| 2485 | + cnmie(2,2,nodroffset(n)+1:nodroffset(n+1))=cnp(2,1,1:nodr(n)) | |
| 2486 | + cnmie(1,2,nodroffset(n)+1:nodroffset(n+1))=0.d0 | |
| 2487 | + cnmie(2,1,nodroffset(n)+1:nodroffset(n+1))=0.d0 | |
| 2488 | + deallocate(anp,cnp) | |
| 2489 | + else | |
| 2490 | + allocate(anp(2,2,nodr(n)),cnp(2,2,nodr(n))) | |
| 2491 | + call mieoa(xsp(n),ri(1,n),nodrn,qeps,qext,qsca,anp_mie=anp,cnp_mie=cnp) | |
| 2492 | + anmie(1:2,1:2,nodroffset(n)+1:nodroffset(n+1))=anp(1:2,1:2,1:nodr(n)) | |
| 2493 | + cnmie(1:2,1:2,nodroffset(n)+1:nodroffset(n+1))=cnp(1:2,1:2,1:nodr(n)) | |
| 2494 | + deallocate(anp,cnp) | |
| 2495 | + endif | |
| 2496 | + enddo | |
| 2497 | + end subroutine miecoefcalc | |
| 2498 | +! | |
| 2499 | +! retrieve the array of mie data | |
| 2500 | +! | |
| 2501 | +! | |
| 2502 | +! last revised: 15 January 2011 | |
| 2503 | +! 30 March 2011: added optical activity | |
| 2504 | +! | |
| 2505 | + subroutine getmiedataall(sphere_order, sphere_block, & | |
| 2506 | + sphere_order_offset, sphere_block_offset, sphere_qext, & | |
| 2507 | + sphere_qabs, sphere_mie_coefficients, sphere_int_mie_coefficients, & | |
| 2508 | + number_equations, max_order) | |
| 2509 | + use spheredata | |
| 2510 | + implicit none | |
| 2511 | + integer, optional :: sphere_order(:), sphere_block(:), sphere_order_offset(:), & | |
| 2512 | + sphere_block_offset(:),number_equations, max_order | |
| 2513 | + integer :: i,nsphere | |
| 2514 | + real(8), optional :: sphere_qext(:), sphere_qabs(:) | |
| 2515 | + complex(8), optional :: sphere_mie_coefficients(:,:,:,:), & | |
| 2516 | + sphere_int_mie_coefficients(:,:,:,:) | |
| 2517 | + call getspheredata(number_spheres=nsphere) | |
| 2518 | + if(present(sphere_order)) sphere_order=nodr | |
| 2519 | + if(present(sphere_block)) sphere_block=nblk | |
| 2520 | + if(present(sphere_order_offset)) sphere_order_offset=nodroffset | |
| 2521 | + if(present(sphere_block_offset)) sphere_block_offset=nblkoffset | |
| 2522 | + if(present(sphere_qext)) sphere_qext=qextmie | |
| 2523 | + if(present(sphere_qabs)) sphere_qabs=qabsmie | |
| 2524 | + if(present(number_equations)) number_equations=numeqns | |
| 2525 | + if(present(max_order)) max_order=maxorder | |
| 2526 | + if(present(sphere_mie_coefficients)) then | |
| 2527 | + do i=1,nsphere | |
| 2528 | + sphere_mie_coefficients(1:2,1:2,1:nodr(i),i) & | |
| 2529 | + =anmie(1:2,1:2,nodroffset(i)+1:nodroffset(i+1)) | |
| 2530 | + enddo | |
| 2531 | + endif | |
| 2532 | + if(present(sphere_int_mie_coefficients)) then | |
| 2533 | + do i=1,nsphere | |
| 2534 | + sphere_int_mie_coefficients(1:2,1:2,1:nodr(i),i) & | |
| 2535 | + =cnmie(1:2,1:2,nodroffset(i)+1:nodroffset(i+1)) | |
| 2536 | + enddo | |
| 2537 | + endif | |
| 2538 | + end subroutine getmiedataall | |
| 2539 | +! | |
| 2540 | +! retrieve mie data for a single sphere | |
| 2541 | +! | |
| 2542 | +! | |
| 2543 | +! last revised: 15 January 2011 | |
| 2544 | +! 30 March 2011: added optical activity | |
| 2545 | +! | |
| 2546 | + subroutine getmiedataone(which_sphere, sphere_order, sphere_block, & | |
| 2547 | + sphere_order_offset, sphere_block_offset, sphere_qext, & | |
| 2548 | + sphere_qabs, sphere_mie_coefficients, sphere_int_mie_coefficients, & | |
| 2549 | + number_equations, max_order) | |
| 2550 | + use spheredata | |
| 2551 | + implicit none | |
| 2552 | + integer, optional :: sphere_order, sphere_block, sphere_order_offset, & | |
| 2553 | + sphere_block_offset, number_equations, max_order | |
| 2554 | + integer :: which_sphere | |
| 2555 | + integer :: i,nsphere | |
| 2556 | + real(8), optional :: sphere_qext, sphere_qabs | |
| 2557 | + complex(8), optional :: sphere_mie_coefficients(:,:,:), sphere_int_mie_coefficients(:,:,:) | |
| 2558 | + i=which_sphere | |
| 2559 | + if(present(sphere_order)) sphere_order=nodr(i) | |
| 2560 | + if(present(sphere_block)) sphere_block=nblk(i) | |
| 2561 | + if(present(sphere_order_offset)) sphere_order_offset=nodroffset(i) | |
| 2562 | + if(present(sphere_block_offset)) sphere_block_offset=nblkoffset(i) | |
| 2563 | + if(present(sphere_qext)) sphere_qext=qextmie(i) | |
| 2564 | + if(present(sphere_qabs)) sphere_qabs=qabsmie(i) | |
| 2565 | + if(present(number_equations)) number_equations=numeqns | |
| 2566 | + if(present(max_order)) max_order=maxorder | |
| 2567 | + if(present(sphere_mie_coefficients)) & | |
| 2568 | + sphere_mie_coefficients(1:2,1:2,1:nodr(i)) & | |
| 2569 | + =anmie(1:2,1:2,nodroffset(i)+1:nodroffset(i+1)) | |
| 2570 | + if(present(sphere_int_mie_coefficients)) & | |
| 2571 | + sphere_int_mie_coefficients(1:2,1:2,1:nodr(i)) & | |
| 2572 | + =cnmie(1:2,1:2,nodroffset(i)+1:nodroffset(i+1)) | |
| 2573 | + end subroutine getmiedataone | |
| 2574 | +! | |
| 2575 | +! retrieve mie coefficients for sphere n | |
| 2576 | +! 30 March 2011: added optical activity | |
| 2577 | +! | |
| 2578 | + function miecoef(n) | |
| 2579 | + implicit none | |
| 2580 | + integer :: n | |
| 2581 | + complex(8), dimension(2,2,nodr(n)) :: miecoef | |
| 2582 | + miecoef=anmie(1:2,1:2,nodroffset(n)+1:nodroffset(n+1)) | |
| 2583 | + end function miecoef | |
| 2584 | + | |
| 2585 | + function internalmiecoef(n) | |
| 2586 | + implicit none | |
| 2587 | + integer :: n | |
| 2588 | + complex(8), dimension(2,2,nodr(n)) :: internalmiecoef | |
| 2589 | + internalmiecoef=cnmie(1:2,1:2,nodroffset(n)+1:nodroffset(n+1)) | |
| 2590 | + end function internalmiecoef | |
| 2591 | +! | |
| 2592 | +! multiples the solution vector cx by mie coefficients and returns in y | |
| 2593 | +! i1: starting sphere, i2: ending sphere | |
| 2594 | +! | |
| 2595 | +! | |
| 2596 | +! last revised: 15 January 2011 | |
| 2597 | +! 30 March 2011: added optical activity | |
| 2598 | +! | |
| 2599 | + subroutine miecoeffmult(i1,i2,neqns,cx,cy) | |
| 2600 | + implicit none | |
| 2601 | + integer :: i1,i2,neqns,i,n,p,nodrvec(3),nodri,nblki,noffi,icon,q | |
| 2602 | + complex(8) :: cx(neqns),cy(neqns) | |
| 2603 | + complex(8), allocatable :: cxt(:,:,:),an1(:,:,:),cxtt(:,:,:) | |
| 2604 | + | |
| 2605 | + do i=i1,i2 | |
| 2606 | + nodri=nodr(i) | |
| 2607 | + nblki=nblk(i) | |
| 2608 | + noffi=nblkoffset(i) | |
| 2609 | + allocate(cxt(0:nodri+1,nodri,2),cxtt(0:nodri+1,nodri,2),an1(2,2,nodri)) | |
| 2610 | + cxt=reshape(cx(noffi+1:noffi+nblki),(/nodri+2,nodri,2/)) | |
| 2611 | + cxtt=0.d0 | |
| 2612 | + an1=miecoef(i) | |
| 2613 | + do n=1,nodri | |
| 2614 | + do p=1,2 | |
| 2615 | + cxtt(n+1,n:1:-1,p)=an1(p,1,n)*cxt(n+1,n:1:-1,1)+an1(p,2,n)*cxt(n+1,n:1:-1,2) | |
| 2616 | + cxtt(0:n,n,p)=an1(p,1,n)*cxt(0:n,n,1)+an1(p,2,n)*cxt(0:n,n,2) | |
| 2617 | + enddo | |
| 2618 | + enddo | |
| 2619 | + cy(noffi+1:noffi+nblki)=reshape(cxtt(0:nodri+1,1:nodri,1:2),(/nblki/)) | |
| 2620 | + deallocate(cxt,cxtt,an1) | |
| 2621 | + enddo | |
| 2622 | + end subroutine miecoeffmult | |
| 2623 | + | |
| 2624 | + subroutine internalmiecoeffmult(i1,i2,neqns,cx,cy) | |
| 2625 | + implicit none | |
| 2626 | + integer :: i1,i2,neqns,i,n,p,nodrvec(3),nodri,nblki,noffi,icon,q | |
| 2627 | + complex(8) :: cx(neqns),cy(neqns) | |
| 2628 | + complex(8), allocatable :: cxt(:,:,:),an1(:,:,:),cxtt(:,:,:) | |
| 2629 | + | |
| 2630 | + do i=i1,i2 | |
| 2631 | + nodri=nodr(i) | |
| 2632 | + nblki=nblk(i) | |
| 2633 | + noffi=nblkoffset(i) | |
| 2634 | + allocate(cxt(0:nodri+1,nodri,2),cxtt(0:nodri+1,nodri,2),an1(2,2,nodri)) | |
| 2635 | + cxt=reshape(cx(noffi+1:noffi+nblki),(/nodri+2,nodri,2/)) | |
| 2636 | + cxtt=0.d0 | |
| 2637 | + an1=internalmiecoef(n) | |
| 2638 | + do n=1,nodri | |
| 2639 | + do p=1,2 | |
| 2640 | + cxtt(n+1,n:1:-1,p)=an1(p,1,n)*cxt(n+1,n:1:-1,1)+an1(p,2,n)*cxt(n+1,n:1:-1,2) | |
| 2641 | + cxtt(0:n,n,p)=an1(p,1,n)*cxt(0:n,n,1)+an1(p,2,n)*cxt(0:n,n,2) | |
| 2642 | + enddo | |
| 2643 | + enddo | |
| 2644 | + cy(noffi+1:noffi+nblki)=reshape(cxtt(0:nodri+1,1:nodri,1:2),(/nblki/)) | |
| 2645 | + deallocate(cxt,cxtt,an1) | |
| 2646 | + enddo | |
| 2647 | + end subroutine internalmiecoeffmult | |
| 2648 | +! | |
| 2649 | +! single-sphere lorenz/mie coefficients | |
| 2650 | +! | |
| 2651 | +! | |
| 2652 | +! last revised: 15 January 2011 | |
| 2653 | +! | |
| 2654 | + subroutine mieregular(x,ri,nstop,qeps,qext,qsca,anp_mie,cnp_mie) | |
| 2655 | + use specialfuncs | |
| 2656 | + implicit none | |
| 2657 | + integer :: nstop,n,iancalc | |
| 2658 | + real(8) :: x,qeps,qext,qsca,prn,prp,qext1,err | |
| 2659 | + complex(8), optional :: anp_mie(2,*), cnp_mie(2,*) | |
| 2660 | + complex(8) :: ri,y,pcp,xip,da,db,na,nb,an1,an2,cn1,cn2 | |
| 2661 | + complex(8), allocatable :: pc(:),xi(:) | |
| 2662 | +! | |
| 2663 | +! modified LM criterion | |
| 2664 | +! | |
| 2665 | + if(qeps.gt.0.) nstop=nint(x+4.*x**(1./3.))+15 | |
| 2666 | +! | |
| 2667 | +! user-set order limit | |
| 2668 | +! | |
| 2669 | + if(qeps.lt.0) nstop=-qeps | |
| 2670 | +! | |
| 2671 | +! basic calculations follow | |
| 2672 | +! | |
| 2673 | + allocate(pc(0:nstop),xi(0:nstop)) | |
| 2674 | + y=x*ri | |
| 2675 | + call cricbessel(nstop,y,pc) | |
| 2676 | + call richankel(nstop,x,xi) | |
| 2677 | + qsca=0.0 | |
| 2678 | + qext=0.0 | |
| 2679 | + do n=1,nstop | |
| 2680 | + prn=dble(xi(n)) | |
| 2681 | + pcp=pc(n-1)-n*pc(n)/y | |
| 2682 | + xip=xi(n-1)-n*xi(n)/x | |
| 2683 | + prp=dble(xip) | |
| 2684 | + da=ri*xip*pc(n)-xi(n)*pcp | |
| 2685 | + db=ri*xi(n)*pcp-xip*pc(n) | |
| 2686 | + na=ri*prp*pc(n)-prn*pcp | |
| 2687 | + nb=ri*prn*pcp-prp*pc(n) | |
| 2688 | + an1=-na/da | |
| 2689 | + an2=-nb/db | |
| 2690 | + cn1=-dcmplx(0.d0,1.d0)*ri/na | |
| 2691 | + cn2=dcmplx(0.d0,1.d0)*ri/nb | |
| 2692 | + if(present(anp_mie)) then | |
| 2693 | + anp_mie(1,n)=an1 | |
| 2694 | + anp_mie(2,n)=an2 | |
| 2695 | + endif | |
| 2696 | + if(present(cnp_mie)) then | |
| 2697 | + cnp_mie(1,n)=cn1 | |
| 2698 | + cnp_mie(2,n)=cn2 | |
| 2699 | + endif | |
| 2700 | + qsca=qsca+(n+n+1)*(cdabs(an1)*cdabs(an1) & | |
| 2701 | + +cdabs(an2)*cdabs(an2)) | |
| 2702 | + qext1=-(n+n+1)*dble(an1+an2) | |
| 2703 | + qext=qext+qext1 | |
| 2704 | + err=abs(qext1)/abs(qext) | |
| 2705 | + if(err.lt.qeps.or.n.eq.nstop) exit | |
| 2706 | + enddo | |
| 2707 | + nstop=n | |
| 2708 | + qsca=2./x/x*qsca | |
| 2709 | + qext=2./x/x*qext | |
| 2710 | + deallocate(pc,xi) | |
| 2711 | + end subroutine mieregular | |
| 2712 | +! | |
| 2713 | +! optically active lorenz/mie coefficients | |
| 2714 | +! 30 March 2011 | |
| 2715 | +! | |
| 2716 | + subroutine mieoa(x,ri,nstop,qeps,qext,qsca,anp_mie,cnp_mie) | |
| 2717 | + use specialfuncs | |
| 2718 | + implicit none | |
| 2719 | + integer :: nstop | |
| 2720 | + real(8) :: x,qeps,qext,qsca,fn1,err | |
| 2721 | + complex(8) :: ri(2) | |
| 2722 | + complex(8), optional :: anp_mie(2,2,*),cnp_mie(2,2,*) | |
| 2723 | + integer :: n,i,p,q | |
| 2724 | + real(8) :: psi,psip,qext1 | |
| 2725 | + complex (8) :: xri(2),xip,psicp,psic,wn(2),vn(2),an(2),bn(2), & | |
| 2726 | + den,xi,anct(2,2),cnct(2,2),ri0,ci | |
| 2727 | + complex(8), allocatable :: psicn(:,:),xin(:) | |
| 2728 | + data ci/(0.d0,1.d0)/ | |
| 2729 | + | |
| 2730 | + ri0=2.d0/(1.d0/ri(1)+1.d0/ri(2)) | |
| 2731 | + if(qeps.ge.0.) then | |
| 2732 | + nstop=nint(x+4.*x**(1./3.))+5. | |
| 2733 | + else | |
| 2734 | + nstop=-qeps | |
| 2735 | + endif | |
| 2736 | + allocate(psicn(0:nstop+1,2),xin(0:nstop+1)) | |
| 2737 | + do i=1,2 | |
| 2738 | + xri(i)=x*ri(i) | |
| 2739 | + call cricbessel(nstop+1,xri(i),psicn(0,i)) | |
| 2740 | + enddo | |
| 2741 | + call richankel(nstop+1,x,xin) | |
| 2742 | + qsca=0.0 | |
| 2743 | + qext=0.0 | |
| 2744 | + do n=1,nstop | |
| 2745 | + do i=1,2 | |
| 2746 | + psic=psicn(n,i) | |
| 2747 | + psicp=psicn(n-1,i)-dble(n)*psic/xri(i) | |
| 2748 | + xi=xin(n) | |
| 2749 | + xip=xin(n-1)-dble(n)*xi/x | |
| 2750 | + psi=dble(xi) | |
| 2751 | + psip=dble(xip) | |
| 2752 | + wn(i)=ri0*psic*xip-xi*psicp | |
| 2753 | + vn(i)=psic*xip-ri0*xi*psicp | |
| 2754 | + an(i)=ri0*psic*psip-psi*psicp | |
| 2755 | + bn(i)=psic*psip-ri0*psi*psicp | |
| 2756 | + enddo | |
| 2757 | + den=wn(1)*vn(2)+wn(2)*vn(1) | |
| 2758 | + anct(1,1)=-(vn(1)*an(2)+vn(2)*an(1))/den | |
| 2759 | + anct(2,2)=-(wn(1)*bn(2)+wn(2)*bn(1))/den | |
| 2760 | + anct(1,2)=(wn(1)*an(2)-wn(2)*an(1))/den | |
| 2761 | + anct(2,1)=anct(1,2) | |
| 2762 | + den=an(1)*bn(2)+an(2)*bn(1) | |
| 2763 | + cnct(1,1)=-ci*ri(1)*bn(2)/den | |
| 2764 | + cnct(1,2)=-ci*ri(1)*an(2)/den | |
| 2765 | + cnct(2,1)=ri(2)*ri0*bn(1)/den | |
| 2766 | + cnct(2,2)=-ri(2)*ri0*an(1)/den | |
| 2767 | + if(present(anp_mie)) then | |
| 2768 | + do p=1,2 | |
| 2769 | + do q=1,2 | |
| 2770 | + anp_mie(p,q,n)=anct(p,q) | |
| 2771 | + cnp_mie(p,q,n)=cnct(p,q) | |
| 2772 | + enddo | |
| 2773 | + enddo | |
| 2774 | + endif | |
| 2775 | + qext1=0.d0 | |
| 2776 | + fn1=n+n+1 | |
| 2777 | + do p=1,2 | |
| 2778 | + do q=1,2 | |
| 2779 | + qsca=qsca+fn1*cdabs(anct(p,q))*cdabs(anct(p,q)) | |
| 2780 | + enddo | |
| 2781 | + qext1=qext1-fn1*dble(anct(p,p)) | |
| 2782 | + enddo | |
| 2783 | + qext=qext+qext1 | |
| 2784 | + err=abs(qext1)/abs(qext) | |
| 2785 | + if(err.lt.qeps.or.n.eq.nstop) exit | |
| 2786 | + enddo | |
| 2787 | + nstop=min(n,nstop) | |
| 2788 | + qsca=2./x/x*qsca | |
| 2789 | + qext=2./x/x*qext | |
| 2790 | + return | |
| 2791 | + end subroutine mieoa | |
| 2792 | + | |
| 2793 | + end module miecoefdata | |
| 2794 | +! | |
| 2795 | +! module translation contains subroutines for VSWF translation and rotation | |
| 2796 | +! | |
| 2797 | +! | |
| 2798 | +! last revised: 15 January 2011 | |
| 2799 | +! | |
| 2800 | + module translation | |
| 2801 | + implicit none | |
| 2802 | + integer, private :: stored_max_order,store_tran_mat | |
| 2803 | + integer, allocatable, private :: nsizerot(:,:),nsizetran(:,:),nsizeephi(:,:), & | |
| 2804 | + noffrot(:,:),nofftran(:,:),noffephi(:,:) | |
| 2805 | + real(8), private :: near_field_distance | |
| 2806 | + real(8), allocatable, private :: sphere_position(:,:) | |
| 2807 | + real(8), target, allocatable, private :: rotmatstore(:) | |
| 2808 | + complex(8), target, allocatable, private :: tranmatstore(:), ephimatstore(:) | |
| 2809 | + complex(8), allocatable, private :: rvec_temp(:,:),tvec_temp(:,:),c_temp(:,:,:), & | |
| 2810 | + ct_temp(:,:,:),rvec2_temp(:,:),tvec2_temp(:,:),c2_temp(:,:,:), & | |
| 2811 | + ct2_temp(:,:,:) | |
| 2812 | + | |
| 2813 | + contains | |
| 2814 | +! | |
| 2815 | +! rotation of expansion coefficients amn by euler angles alpha,beta,gamma | |
| 2816 | +! idir=1: forward rotation, idir=-1, reverse rotation. | |
| 2817 | +! | |
| 2818 | +! | |
| 2819 | +! last revised: 15 January 2011 | |
| 2820 | +! | |
| 2821 | + subroutine rotvec(alpha,beta,gamma,nmax,mmax,amn,idir) | |
| 2822 | + use numconstants | |
| 2823 | + use specialfuncs | |
| 2824 | + implicit none | |
| 2825 | + integer :: nmax,mmax,idir,k,n,m,in,kmax,kn,ka,na,p,im,m1 | |
| 2826 | + real(8) :: dc(-nmax-1:nmax+1,-nmax-1:nmax+1),dk0(-nmax-1:nmax+1), & | |
| 2827 | + dk01(-nmax-1:nmax+1),sbe,cbe,sbe2,cbe2,sben,dkt, & | |
| 2828 | + fmn,dkm0,dkm1,alpha,beta,gamma | |
| 2829 | + complex(8) :: ealpha,amn(0:nmax+1,nmax,2),ealpham(-nmax:nmax), & | |
| 2830 | + amnt(2,-nmax:nmax),a,b,ci,egamma,egammam(-nmax:nmax) | |
| 2831 | + data ci/(0.d0,1.d0)/ | |
| 2832 | + call init(nmax) | |
| 2833 | + dc=0.d0 | |
| 2834 | + dk01=0.d0 | |
| 2835 | + dk0=0.d0 | |
| 2836 | + ealpha=cdexp(ci*alpha) | |
| 2837 | + egamma=cdexp(ci*gamma) | |
| 2838 | + cbe=cos(beta) | |
| 2839 | + sbe=sqrt((1.d0+cbe)*(1.d0-cbe)) | |
| 2840 | + cbe2=.5d0*(1.d0+cbe) | |
| 2841 | + sbe2=.5d0*(1.d0-cbe) | |
| 2842 | + call ephicoef(ealpha,nmax,ealpham) | |
| 2843 | + call ephicoef(egamma,nmax,egammam) | |
| 2844 | + in=1 | |
| 2845 | + dk0(0)=1.d0 | |
| 2846 | + sben=1.d0 | |
| 2847 | + dk01(0)=0.d0 | |
| 2848 | + do n=1,nmax | |
| 2849 | + kmax=min(n,mmax) | |
| 2850 | + do k=-kmax,kmax | |
| 2851 | + if(k.le.-1) then | |
| 2852 | + ka=n+1 | |
| 2853 | + na=-k | |
| 2854 | + else | |
| 2855 | + ka=k | |
| 2856 | + na=n | |
| 2857 | + endif | |
| 2858 | + if(idir.eq.1) then | |
| 2859 | + amnt(1,k)=amn(ka,na,1)*ealpham(k) | |
| 2860 | + amnt(2,k)=amn(ka,na,2)*ealpham(k) | |
| 2861 | + else | |
| 2862 | + amnt(1,-k)=amn(ka,na,1)*egammam(k) | |
| 2863 | + amnt(2,-k)=amn(ka,na,2)*egammam(k) | |
| 2864 | + endif | |
| 2865 | + enddo | |
| 2866 | + in=-in | |
| 2867 | + sben=sben*sbe/2.d0 | |
| 2868 | + dk0(n)=in*sben*bcof(n,n) | |
| 2869 | + dk0(-n)=in*dk0(n) | |
| 2870 | + dk01(n)=0.d0 | |
| 2871 | + dk01(-n)=0.d0 | |
| 2872 | + dc(0,n)=dk0(n) | |
| 2873 | + dc(0,-n)=dk0(-n) | |
| 2874 | + do k=-n+1,n-1 | |
| 2875 | + dkt=dk01(k) | |
| 2876 | + dk01(k)=dk0(k) | |
| 2877 | + dk0(k)=(cbe*(n+n-1)*dk01(k)-fnr(n-k-1)*fnr(n+k-1)*dkt) & | |
| 2878 | + /(fnr(n+k)*fnr(n-k)) | |
| 2879 | + dc(0,k)=dk0(k) | |
| 2880 | + enddo | |
| 2881 | + im=1 | |
| 2882 | + do m=1,kmax | |
| 2883 | + im=-im | |
| 2884 | + fmn=1./fnr(n-m+1)/fnr(n+m) | |
| 2885 | + m1=m-1 | |
| 2886 | + dkm0=0. | |
| 2887 | + do k=-n,n | |
| 2888 | + dkm1=dkm0 | |
| 2889 | + dkm0=dc(m1,k) | |
| 2890 | + dc(m,k)=(fnr(n+k)*fnr(n-k+1)*cbe2*dkm1 & | |
| 2891 | + -fnr(n-k)*fnr(n+k+1)*sbe2*dc(m1,k+1) & | |
| 2892 | + -k*sbe*dc(m1,k))*fmn | |
| 2893 | + dc(-m,-k)=dc(m,k)*(-1)**(k)*im | |
| 2894 | + enddo | |
| 2895 | + enddo | |
| 2896 | + do m=-n,n | |
| 2897 | + if(m.le.-1) then | |
| 2898 | + ka=n+1 | |
| 2899 | + na=-m | |
| 2900 | + else | |
| 2901 | + ka=m | |
| 2902 | + na=n | |
| 2903 | + endif | |
| 2904 | + a=0. | |
| 2905 | + b=0. | |
| 2906 | + do k=-kmax,kmax | |
| 2907 | + a=a+dc(-k,-m)*amnt(1,k) | |
| 2908 | + b=b+dc(-k,-m)*amnt(2,k) | |
| 2909 | + enddo | |
| 2910 | + if(idir.eq.1) then | |
| 2911 | + amn(ka,na,1)=a*egammam(m) | |
| 2912 | + amn(ka,na,2)=b*egammam(m) | |
| 2913 | + else | |
| 2914 | + amn(ka,na,1)=a*ealpham(m) | |
| 2915 | + amn(ka,na,2)=b*ealpham(m) | |
| 2916 | + endif | |
| 2917 | + enddo | |
| 2918 | + enddo | |
| 2919 | + end subroutine rotvec | |
| 2920 | +! | |
| 2921 | +! sets up the stored translation matrices for mpi | |
| 2922 | +! | |
| 2923 | +! | |
| 2924 | +! last revised: 15 January 2011 | |
| 2925 | +! november 2011: added near and far field translation | |
| 2926 | +! | |
| 2927 | + subroutine mpirottranmtrxsetup(nsphere,nodr,rpos,ri,istore,nfdistance,& | |
| 2928 | + runprintunit) | |
| 2929 | + use mpidefs | |
| 2930 | + use mpidata | |
| 2931 | + use intrinsics | |
| 2932 | + use numconstants | |
| 2933 | + use specialfuncs | |
| 2934 | + implicit none | |
| 2935 | + integer :: nsphere,nodr(nsphere),i,j,nodrmax,nodrmin,n,ntotrot,ntottran,ntotephi, & | |
| 2936 | + ierr,n1,n2,nt,rank,nsrank,runprintunit,isendok,tag,sendrank,numprocs,brank, & | |
| 2937 | + nsend,istore | |
| 2938 | + real(8) :: rpos(3,nsphere),xij(3),r,ct,memused(1),memusedmax(1),memusedmin(1), & | |
| 2939 | + nfdistance,nfdistancei | |
| 2940 | + real(8), allocatable :: rotmat(:,:) | |
| 2941 | + complex(8) :: ri,ephi | |
| 2942 | + complex(8), allocatable :: tranmat(:,:,:),ephimat(:),pivec(:,:,:) | |
| 2943 | + data isendok,tag/0,1/ | |
| 2944 | + numprocs=proc_per_group | |
| 2945 | + rank=group_rank | |
| 2946 | + brank=base_rank | |
| 2947 | + nsrank=mpi_sphere_number(rank) | |
| 2948 | + nodrmax=maxval(nodr) | |
| 2949 | + call init(nodrmax) | |
| 2950 | + store_tran_mat=istore | |
| 2951 | + near_field_distance=nfdistance | |
| 2952 | + if(allocated(sphere_position)) deallocate(sphere_position) | |
| 2953 | + allocate(sphere_position(3,nsphere)) | |
| 2954 | + sphere_position=rpos | |
| 2955 | + if(istore.eq.0) then | |
| 2956 | + return | |
| 2957 | + endif | |
| 2958 | + if(allocated(nsizerot)) deallocate(nsizerot,nsizetran,nsizeephi,noffrot,nofftran,noffephi) | |
| 2959 | + allocate(nsizerot(nsphere,nsphere),nsizetran(nsphere,nsphere),nsizeephi(nsphere,nsphere), & | |
| 2960 | + noffrot(nsphere,nsphere),nofftran(nsphere,nsphere),noffephi(nsphere,nsphere)) | |
| 2961 | + if(allocated(rvec_temp)) deallocate(rvec_temp,tvec_temp,c_temp,ct_temp, & | |
| 2962 | + rvec2_temp,tvec2_temp,c2_temp,ct2_temp) | |
| 2963 | + allocate(rvec_temp(-nodrmax:nodrmax,2),tvec_temp(nodrmax,2), & | |
| 2964 | + c_temp(-nodrmax:nodrmax,nodrmax,2),ct_temp(nodrmax,2,2), & | |
| 2965 | + rvec2_temp(-nodrmax:nodrmax,2),tvec2_temp(nodrmax,2), & | |
| 2966 | + c2_temp(-nodrmax:nodrmax,nodrmax,2),ct2_temp(nodrmax,2,2)) | |
| 2967 | + stored_max_order=nodrmax | |
| 2968 | +! | |
| 2969 | +! determine the memory requirements | |
| 2970 | +! | |
| 2971 | + ntotrot=0 | |
| 2972 | + ntottran=0 | |
| 2973 | + ntotephi=0 | |
| 2974 | + do i=mpi_sphere_index(rank)+1,mpi_sphere_index(rank)+nsrank | |
| 2975 | + do j=1,nsphere | |
| 2976 | + xij(:)=rpos(:,i)-rpos(:,j) | |
| 2977 | + if(j.ne.i) then | |
| 2978 | + if(nfdistance.lt.0.) then | |
| 2979 | + nfdistancei=(.5*dble(nodr(i)+nodr(j)))**2. | |
| 2980 | + else | |
| 2981 | + nfdistancei=nfdistance | |
| 2982 | + endif | |
| 2983 | + r=sqrt(dot_product(xij,xij)) | |
| 2984 | + if(r.le.nfdistancei) then | |
| 2985 | + nodrmax=max(nodr(j),nodr(i)) | |
| 2986 | + nodrmin=min(nodr(j),nodr(i)) | |
| 2987 | + noffrot(i,j)=ntotrot | |
| 2988 | + nofftran(i,j)=ntottran | |
| 2989 | + noffephi(i,j)=ntotephi | |
| 2990 | + nsizerot(i,j)=(2*nodrmin+1)*(1+nodrmax*(nodrmax+2)) | |
| 2991 | + nsizetran(i,j)=nodr(i)*nodr(j)*(nodr(j)+3) | |
| 2992 | + nsizeephi(i,j)=2*nodrmax+1 | |
| 2993 | + ntotrot=ntotrot+nsizerot(i,j) | |
| 2994 | + ntottran=ntottran+nsizetran(i,j) | |
| 2995 | + ntotephi=ntotephi+nsizeephi(i,j) | |
| 2996 | + endif | |
| 2997 | + if(r.gt.nfdistancei.and.istore.eq.2) then | |
| 2998 | + nodrmax=max(nodr(j),nodr(i)) | |
| 2999 | + nofftran(i,j)=ntottran | |
| 3000 | + nsizetran(i,j)=2*nodrmax*(nodrmax+2) | |
| 3001 | + ntottran=ntottran+nsizetran(i,j) | |
| 3002 | + endif | |
| 3003 | + endif | |
| 3004 | + enddo | |
| 3005 | + enddo | |
| 3006 | + memused(1)=dble(8*ntotrot+16*(ntottran+ntotephi))*1.d-6 | |
| 3007 | + nsend=1 | |
| 3008 | + call ms_mpi(mpi_command='reduce',mpi_send_buf_dp=memused,mpi_recv_buf_dp=memusedmax,& | |
| 3009 | + mpi_number=1,mpi_rank=0,mpi_operation=ms_mpi_max) | |
| 3010 | + call ms_mpi(mpi_command='reduce',mpi_send_buf_dp=memused,mpi_recv_buf_dp=memusedmin,& | |
| 3011 | + mpi_number=1,mpi_rank=0,mpi_operation=ms_mpi_min) | |
| 3012 | + call ms_mpi(mpi_command='barrier') | |
| 3013 | + if(brank.eq.0) then | |
| 3014 | + write(runprintunit,'('' maximum translation matrix storage:'',f9.4,'' MB'')') memusedmax | |
| 3015 | + write(runprintunit,'('' minimum translation matrix storage:'',f9.4,'' MB'')') memusedmin | |
| 3016 | + call flush(runprintunit) | |
| 3017 | + endif | |
| 3018 | +! | |
| 3019 | +! calculate the matrices and store in memory | |
| 3020 | +! | |
| 3021 | + if(allocated(rotmatstore)) deallocate(rotmatstore,tranmatstore,ephimatstore) | |
| 3022 | + allocate(rotmatstore(ntotrot),stat=ierr) | |
| 3023 | + allocate(tranmatstore(ntottran),stat=ierr) | |
| 3024 | + allocate(ephimatstore(ntotephi),stat=ierr) | |
| 3025 | + do i=mpi_sphere_index(rank)+1,mpi_sphere_index(rank)+nsrank | |
| 3026 | + do j=1,nsphere | |
| 3027 | + if(j.ne.i) then | |
| 3028 | + nodrmax=max(nodr(j),nodr(i)) | |
| 3029 | + nodrmin=min(nodr(j),nodr(i)) | |
| 3030 | + xij=rpos(:,i)-rpos(:,j) | |
| 3031 | + call cartosphere(xij,r,ct,ephi) | |
| 3032 | + if(nfdistance.lt.0.) then | |
| 3033 | + nfdistancei=(.5*dble(nodr(i)+nodr(j)))**2. | |
| 3034 | + else | |
| 3035 | + nfdistancei=nfdistance | |
| 3036 | + endif | |
| 3037 | + if(r.le.nfdistancei) then | |
| 3038 | +! | |
| 3039 | +! rotation matrix | |
| 3040 | +! | |
| 3041 | + n1=noffrot(i,j)+1 | |
| 3042 | + nt=nsizerot(i,j) | |
| 3043 | + n2=n1+nt-1 | |
| 3044 | + allocate(rotmat(-nodrmin:nodrmin,0:nodrmax*(nodrmax+2))) | |
| 3045 | + call rotcoef(ct,nodrmin,nodrmax,rotmat) | |
| 3046 | + rotmatstore(n1:n2)=reshape(rotmat,(/nt/)) | |
| 3047 | + deallocate(rotmat) | |
| 3048 | +! | |
| 3049 | +! axial translation matrix | |
| 3050 | +! | |
| 3051 | + n1=nofftran(i,j)+1 | |
| 3052 | + nt=nsizetran(i,j) | |
| 3053 | + n2=n1+nt-1 | |
| 3054 | + allocate(tranmat(nodr(i),nodr(j)*(nodr(j)+3)/2,2)) | |
| 3055 | + call axialtrancoef(3,r,ri,nodr(i),nodr(j),tranmat) | |
| 3056 | + tranmatstore(n1:n2)=reshape(tranmat,(/nt/)) | |
| 3057 | + deallocate(tranmat) | |
| 3058 | +! | |
| 3059 | +! ephi matrix | |
| 3060 | +! | |
| 3061 | + n1=noffephi(i,j)+1 | |
| 3062 | + nt=nsizeephi(i,j) | |
| 3063 | + n2=n1+nt-1 | |
| 3064 | + allocate(ephimat(-nodrmax:nodrmax)) | |
| 3065 | + call ephicoef(ephi,nodrmax,ephimat) | |
| 3066 | + ephimatstore(n1:n2)=ephimat(-nodrmax:nodrmax) | |
| 3067 | + deallocate(ephimat) | |
| 3068 | +! | |
| 3069 | +! ff translation matrix storage | |
| 3070 | +! | |
| 3071 | + elseif(istore.eq.2) then | |
| 3072 | + n1=nofftran(i,j)+1 | |
| 3073 | + nt=nsizetran(i,j) | |
| 3074 | + n2=n1+nt-1 | |
| 3075 | + nodrmax=max(nodr(j),nodr(i)) | |
| 3076 | + allocate(pivec(0:nodrmax+1,nodrmax,2)) | |
| 3077 | + call pifunc(ct,ephi,nodrmax,nodrmax,pivec) | |
| 3078 | + tranmatstore(n1:n2)=reshape(pivec,(/nt/)) | |
| 3079 | + deallocate(pivec) | |
| 3080 | + endif | |
| 3081 | + endif | |
| 3082 | + enddo | |
| 3083 | + enddo | |
| 3084 | + end subroutine mpirottranmtrxsetup | |
| 3085 | +! | |
| 3086 | +! clear the stored translation matrices | |
| 3087 | +! | |
| 3088 | +! | |
| 3089 | +! last revised: 15 January 2011 | |
| 3090 | +! | |
| 3091 | + subroutine rottranmtrxclear() | |
| 3092 | + implicit none | |
| 3093 | + if(allocated(rotmatstore)) deallocate(rotmatstore,tranmatstore,ephimatstore) | |
| 3094 | + if(allocated(sphere_position)) deallocate(sphere_position) | |
| 3095 | + end subroutine rottranmtrxclear | |
| 3096 | +! | |
| 3097 | +! translation coefficient vector cx by xij in medium with ri by rotation-translation | |
| 3098 | +! itype: 1 or 3 | |
| 3099 | +! icalc: =1, calculate matrices; = 0, use stored matrix | |
| 3100 | +! idir: =1, translation of xij, =-1, -xij (reverse) | |
| 3101 | +! itran=1, A(i-j) a(j), = -1, a(j) A(i-j) | |
| 3102 | +! | |
| 3103 | +! | |
| 3104 | +! last revised: 15 January 2011 | |
| 3105 | +! | |
| 3106 | + subroutine rottran(cx,cy,xij,ri,nodrx,nodry,itype,icalc,idir,itran) | |
| 3107 | + use numconstants | |
| 3108 | + use specialfuncs | |
| 3109 | + implicit none | |
| 3110 | + integer :: nodrx,nodry,itype,icalc,idir,itran,nmax,nmin,n,m,p,nblk | |
| 3111 | + real(8) :: xij(3),r,ct | |
| 3112 | + complex(8) :: ri,ephi,cx(0:nodrx+1,nodrx,2),cy(0:nodry+1,nodry,2) | |
| 3113 | + real(8), allocatable, save :: rotmat(:,:) | |
| 3114 | + complex(8), allocatable, save :: ephimat(:), tranmat(:,:,:) | |
| 3115 | + if(icalc.eq.1) then | |
| 3116 | + nmax=max(nodrx,nodry) | |
| 3117 | + nmin=min(nodrx,nodry) | |
| 3118 | + call cartosphere(xij,r,ct,ephi) | |
| 3119 | + if(r.lt.1.d-4) then | |
| 3120 | + do p=1,2 | |
| 3121 | + do n=1,nmin | |
| 3122 | + do m=0,nmin+1 | |
| 3123 | + cy(m,n,p)=cy(m,n,p)+cx(m,n,p) | |
| 3124 | + enddo | |
| 3125 | + enddo | |
| 3126 | + enddo | |
| 3127 | + return | |
| 3128 | + endif | |
| 3129 | + if(allocated(ephimat)) deallocate(rotmat,ephimat,tranmat) | |
| 3130 | + if(nmax.gt.stored_max_order) then | |
| 3131 | + if(allocated(rvec_temp)) deallocate(rvec_temp,tvec_temp, & | |
| 3132 | + c_temp,ct_temp,rvec2_temp,tvec2_temp, & | |
| 3133 | + c2_temp,ct2_temp) | |
| 3134 | + allocate(rvec_temp(-nmax:nmax,2),tvec_temp(nmax,2), & | |
| 3135 | + c_temp(-nmax:nmax,nmax,2),ct_temp(nmax,2,2), & | |
| 3136 | + rvec2_temp(-nmax:nmax,2),tvec2_temp(nmax,2), & | |
| 3137 | + c2_temp(-nmax:nmax,nmax,2),ct2_temp(nmax,2,2)) | |
| 3138 | + stored_max_order=nmax | |
| 3139 | + endif | |
| 3140 | + nblk=(nodrx*(nodrx+3))/2 | |
| 3141 | + allocate(rotmat(-nmin:nmin,0:nmax*(nmax+2))) | |
| 3142 | + allocate(ephimat(-nmax:nmax)) | |
| 3143 | + allocate(tranmat(1:nodry,1:nblk,1:2)) | |
| 3144 | + call rotcoef(ct,nmin,nmax,rotmat) | |
| 3145 | +! call axialtrancoef(itype,r,ri,nodry,nodrx,tranmat) | |
| 3146 | + call axialtrancoefrecurrence(itype,r,ri,nodry,nodrx,tranmat) | |
| 3147 | + call ephicoef(ephi,nmax,ephimat) | |
| 3148 | + endif | |
| 3149 | + call rottranmtrx(cx,cy,idir,itran,nodrx,nodry,ephimat,rotmat,tranmat) | |
| 3150 | + return | |
| 3151 | + end subroutine rottran | |
| 3152 | +! | |
| 3153 | +! far field formula for outgoing SVWF translation | |
| 3154 | +! October 2011 | |
| 3155 | +! | |
| 3156 | + subroutine farfieldtranslation(cx,cy,xij,ri,nodrx,nodry,icase, & | |
| 3157 | + stored_pivec_matrix) | |
| 3158 | + use numconstants | |
| 3159 | + use specialfuncs | |
| 3160 | + implicit none | |
| 3161 | + integer :: nodrx,nodry,itype,icalc,icase,nmax,nmin,n,m,p,nblk,im | |
| 3162 | + real(8) :: xij(3),r,ct,xijt(3) | |
| 3163 | + complex(8) :: ri,ephi,cx(0:nodrx+1,nodrx,2),cy(0:nodry+1,nodry,2), & | |
| 3164 | + cxt(0:nodrx+1,nodrx,2),cyt(0:nodry+1,nodry,2), & | |
| 3165 | + sumx(2),c1,pivec(0:max(nodrx,nodry)+1,max(nodrx,nodry),2) | |
| 3166 | + complex(8), optional :: stored_pivec_matrix(0:max(nodrx,nodry)+1,max(nodrx,nodry),2) | |
| 3167 | + | |
| 3168 | + call cartosphere(xij,r,ct,ephi) | |
| 3169 | + nmax=max(nodrx,nodry) | |
| 3170 | + if(present(stored_pivec_matrix)) then | |
| 3171 | + pivec=stored_pivec_matrix | |
| 3172 | + else | |
| 3173 | + call pifunc(ct,ephi,nmax,nmax,pivec) | |
| 3174 | + endif | |
| 3175 | + if(icase.eq.1) then | |
| 3176 | + sumx(1)=sum(pivec(0:nodrx+1,1:nodrx,1:2)*cx(0:nodrx+1,1:nodrx,1:2)) | |
| 3177 | + sumx(2)=sum(pivec(0:nodrx+1,1:nodrx,2:1:-1)*cx(0:nodrx+1,1:nodrx,1:2)) | |
| 3178 | + sumx=sumx*cdexp((0.d0,1.d0)*ri*r)/((0.d0,1.d0)*ri*r)*8.d0 | |
| 3179 | + cyt(0:nodry+1,1:nodry,1) = conjg(pivec(0:nodry+1,1:nodry,1))*sumx(1) & | |
| 3180 | + +conjg(pivec(0:nodry+1,1:nodry,2))*sumx(2) | |
| 3181 | + cyt(0:nodry+1,1:nodry,2) = conjg(pivec(0:nodry+1,1:nodry,2))*sumx(1) & | |
| 3182 | + +conjg(pivec(0:nodry+1,1:nodry,1))*sumx(2) | |
| 3183 | + else | |
| 3184 | + do n=1,nodrx | |
| 3185 | + do p=1,2 | |
| 3186 | + im=(-1)**(n+p) | |
| 3187 | + cxt(n+1,1:n,p)=im*cx(n+1,1:n,p) | |
| 3188 | + cxt(0:n,n,p)=im*cx(0:n,n,p) | |
| 3189 | + enddo | |
| 3190 | + enddo | |
| 3191 | + sumx(1)=sum(conjg(pivec(0:nodrx+1,1:nodrx,1:2))*cxt(0:nodrx+1,1:nodrx,1:2)) | |
| 3192 | + sumx(2)=sum(conjg(pivec(0:nodrx+1,1:nodrx,2:1:-1))*cxt(0:nodrx+1,1:nodrx,1:2)) | |
| 3193 | + sumx=sumx*cdexp((0.d0,1.d0)*ri*r)/((0.d0,1.d0)*ri*r)*8.d0 | |
| 3194 | + cyt(0:nodry+1,1:nodry,1) = pivec(0:nodry+1,1:nodry,1)*sumx(1) & | |
| 3195 | + +pivec(0:nodry+1,1:nodry,2)*sumx(2) | |
| 3196 | + cyt(0:nodry+1,1:nodry,2) = pivec(0:nodry+1,1:nodry,2)*sumx(1) & | |
| 3197 | + +pivec(0:nodry+1,1:nodry,1)*sumx(2) | |
| 3198 | + do n=1,nodry | |
| 3199 | + do p=1,2 | |
| 3200 | + im=(-1)**(n+p) | |
| 3201 | + cyt(n+1,1:n,p)=im*cyt(n+1,1:n,p) | |
| 3202 | + cyt(0:n,n,p)=im*cyt(0:n,n,p) | |
| 3203 | + enddo | |
| 3204 | + enddo | |
| 3205 | + endif | |
| 3206 | + cy=cy+cyt | |
| 3207 | + end subroutine farfieldtranslation | |
| 3208 | +! | |
| 3209 | +! far field translation: normal and transpose, for bcgm solution | |
| 3210 | +! october 2011 | |
| 3211 | +! | |
| 3212 | + subroutine farfieldtranslationtwovec(cx1,cx2,cy1,cy2,xij,ri,nodrx,nodry, & | |
| 3213 | + stored_pivec_matrix) | |
| 3214 | + use numconstants | |
| 3215 | + use specialfuncs | |
| 3216 | + implicit none | |
| 3217 | + integer :: nodrx,nodry,itype,icalc,icase,nmax,nmin,n,m,p,nblk,im | |
| 3218 | + real(8) :: xij(3),r,ct,xijt(3) | |
| 3219 | + complex(8) :: ri,ephi,cx1(0:nodrx+1,nodrx,2),cy1(0:nodry+1,nodry,2), & | |
| 3220 | + cx2(0:nodrx+1,nodrx,2),cy2(0:nodry+1,nodry,2), & | |
| 3221 | + cxt(0:nodrx+1,nodrx,2),cyt1(0:nodry+1,nodry,2), & | |
| 3222 | + cyt2(0:nodry+1,nodry,2), & | |
| 3223 | + sumx(2),c1,phasefunc, & | |
| 3224 | + pivec(0:max(nodrx,nodry)+1,max(nodrx,nodry),2) | |
| 3225 | + complex(8), optional :: stored_pivec_matrix(0:max(nodrx,nodry)+1,max(nodrx,nodry),2) | |
| 3226 | + | |
| 3227 | + call cartosphere(xij,r,ct,ephi) | |
| 3228 | + nmax=max(nodrx,nodry) | |
| 3229 | + if(present(stored_pivec_matrix)) then | |
| 3230 | + pivec=stored_pivec_matrix | |
| 3231 | + else | |
| 3232 | + call pifunc(ct,ephi,nmax,nmax,pivec) | |
| 3233 | + endif | |
| 3234 | + phasefunc=cdexp((0.d0,1.d0)*ri*r)/((0.d0,1.d0)*ri*r)*8.d0 | |
| 3235 | + sumx(1)=sum(pivec(0:nodrx+1,1:nodrx,1:2)*cx1(0:nodrx+1,1:nodrx,1:2)) | |
| 3236 | + sumx(2)=sum(pivec(0:nodrx+1,1:nodrx,2:1:-1)*cx1(0:nodrx+1,1:nodrx,1:2)) | |
| 3237 | + sumx=sumx*phasefunc | |
| 3238 | + cyt1(0:nodry+1,1:nodry,1) = conjg(pivec(0:nodry+1,1:nodry,1))*sumx(1) & | |
| 3239 | + +conjg(pivec(0:nodry+1,1:nodry,2))*sumx(2) | |
| 3240 | + cyt1(0:nodry+1,1:nodry,2) = conjg(pivec(0:nodry+1,1:nodry,2))*sumx(1) & | |
| 3241 | + +conjg(pivec(0:nodry+1,1:nodry,1))*sumx(2) | |
| 3242 | + do n=1,nodrx | |
| 3243 | + do p=1,2 | |
| 3244 | + im=(-1)**(n+p) | |
| 3245 | + cxt(n+1,1:n,p)=im*cx2(n+1,1:n,p) | |
| 3246 | + cxt(0:n,n,p)=im*cx2(0:n,n,p) | |
| 3247 | + enddo | |
| 3248 | + enddo | |
| 3249 | + sumx(1)=sum(conjg(pivec(0:nodrx+1,1:nodrx,1:2))*cxt(0:nodrx+1,1:nodrx,1:2)) | |
| 3250 | + sumx(2)=sum(conjg(pivec(0:nodrx+1,1:nodrx,2:1:-1))*cxt(0:nodrx+1,1:nodrx,1:2)) | |
| 3251 | + sumx=sumx*phasefunc | |
| 3252 | + cyt2(0:nodry+1,1:nodry,1) = pivec(0:nodry+1,1:nodry,1)*sumx(1) & | |
| 3253 | + +pivec(0:nodry+1,1:nodry,2)*sumx(2) | |
| 3254 | + cyt2(0:nodry+1,1:nodry,2) = pivec(0:nodry+1,1:nodry,2)*sumx(1) & | |
| 3255 | + +pivec(0:nodry+1,1:nodry,1)*sumx(2) | |
| 3256 | + do n=1,nodry | |
| 3257 | + do p=1,2 | |
| 3258 | + im=(-1)**(n+p) | |
| 3259 | + cyt2(n+1,1:n,p)=im*cyt2(n+1,1:n,p) | |
| 3260 | + cyt2(0:n,n,p)=im*cyt2(0:n,n,p) | |
| 3261 | + enddo | |
| 3262 | + enddo | |
| 3263 | + cy1=cy1+cyt1 | |
| 3264 | + cy2=cy2+cyt2 | |
| 3265 | + end subroutine farfieldtranslationtwovec | |
| 3266 | +! | |
| 3267 | +! correction term for hybrid bcgm solution: difference between exact and | |
| 3268 | +! ff translation field | |
| 3269 | +! november 2011 | |
| 3270 | +! | |
| 3271 | + subroutine fftranslationerror(cx,cy,jx,iy,nodrx,nodry) | |
| 3272 | + use numconstants | |
| 3273 | + use specialfuncs | |
| 3274 | + implicit none | |
| 3275 | + integer :: nodrx,nodry,idir,itran,iy,jx,istore | |
| 3276 | + integer :: nr1,nr2,nt1,nt2,ne1,ne2 | |
| 3277 | + real(8) :: xj(3),xi(3),xij(3),rij,nfdist | |
| 3278 | + complex(8) :: cx(0:nodrx+1,nodrx,2),cy(0:nodry+1,nodry,2), & | |
| 3279 | + cyt(0:nodry+1,nodry,2) | |
| 3280 | + xj(:)=sphere_position(:,jx) | |
| 3281 | + xi(:)=sphere_position(:,iy) | |
| 3282 | + xij=xi-xj | |
| 3283 | + rij=sqrt(dot_product(xij,xij)) | |
| 3284 | + if(near_field_distance.lt.0.) then | |
| 3285 | + nfdist=(.5*(nodrx+nodry))**2. | |
| 3286 | + else | |
| 3287 | + nfdist=near_field_distance | |
| 3288 | + endif | |
| 3289 | + if(rij.gt.nfdist) then | |
| 3290 | + cyt=0.d0 | |
| 3291 | + call farfieldtranslation(cx,cyt,xij,(1.d0,0.d0),nodrx,nodry,1) | |
| 3292 | + cyt=-cyt | |
| 3293 | + call rottran(cx,cyt,xij,(1.d0,0.d0),nodrx,nodry,3,1,1,1) | |
| 3294 | + cy=cy+cyt | |
| 3295 | + endif | |
| 3296 | + end subroutine fftranslationerror | |
| 3297 | +! | |
| 3298 | +! translation via stored or calculated matrices (replaces rottranstoredmatrix) | |
| 3299 | +! | |
| 3300 | +! 12 October 2011. | |
| 3301 | +! if rij> near_field_distance, the far field formula is | |
| 3302 | +! applied. | |
| 3303 | +! | |
| 3304 | + subroutine rottranjtoi(cx,cy,jx,iy,nodrx,nodry,idir,itran) | |
| 3305 | + use numconstants | |
| 3306 | + use specialfuncs | |
| 3307 | + implicit none | |
| 3308 | + integer :: nodrx,nodry,idir,itran,iy,jx,istore | |
| 3309 | + integer :: nr1,nr2,nt1,nt2,ne1,ne2 | |
| 3310 | + real(8) :: xj(3),xi(3),xij(3),rij,nfdist | |
| 3311 | + complex(8) :: cx(0:nodrx+1,nodrx,2),cy(0:nodry+1,nodry,2) | |
| 3312 | + xj(:)=sphere_position(:,jx) | |
| 3313 | + xi(:)=sphere_position(:,iy) | |
| 3314 | + xij=xi-xj | |
| 3315 | + rij=sqrt(dot_product(xij,xij)) | |
| 3316 | + if(near_field_distance.lt.0.) then | |
| 3317 | + nfdist=(.5*(nodrx+nodry))**2. | |
| 3318 | + else | |
| 3319 | + nfdist=near_field_distance | |
| 3320 | + endif | |
| 3321 | + if(rij.gt.nfdist) then | |
| 3322 | + if(store_tran_mat.eq.2) then | |
| 3323 | + nt1=nofftran(iy,jx)+1 | |
| 3324 | + nt2=nt1+nsizetran(iy,jx)-1 | |
| 3325 | + call farfieldtranslation(cx,cy,xij,(1.d0,0.d0),nodrx,nodry,itran, & | |
| 3326 | + stored_pivec_matrix=tranmatstore(nt1:nt2)) | |
| 3327 | + else | |
| 3328 | + call farfieldtranslation(cx,cy,xij,(1.d0,0.d0),nodrx,nodry,itran) | |
| 3329 | + endif | |
| 3330 | + else | |
| 3331 | + if(store_tran_mat.eq.0) then | |
| 3332 | + call rottran(cx,cy,xij,(1.d0,0.d0),nodrx,nodry,3,1,idir,itran) | |
| 3333 | + else | |
| 3334 | + nr1=noffrot(iy,jx)+1 | |
| 3335 | + nr2=nr1+nsizerot(iy,jx)-1 | |
| 3336 | + nt1=nofftran(iy,jx)+1 | |
| 3337 | + nt2=nt1+nsizetran(iy,jx)-1 | |
| 3338 | + ne1=noffephi(iy,jx)+1 | |
| 3339 | + ne2=ne1+nsizeephi(iy,jx)-1 | |
| 3340 | + call rottranmtrx(cx,cy,idir,itran,nodrx,nodry,ephimatstore(ne1:ne2), & | |
| 3341 | + rotmatstore(nr1:nr2),tranmatstore(nt1:nt2)) | |
| 3342 | + endif | |
| 3343 | + endif | |
| 3344 | + end subroutine rottranjtoi | |
| 3345 | +! | |
| 3346 | +! normal and transpose translation, for bcgm | |
| 3347 | +! november 2011 | |
| 3348 | +! | |
| 3349 | + subroutine rottrantwojtoi(cx1,cx2,cy1,cy2,jx,iy,nodrx,nodry) | |
| 3350 | + use numconstants | |
| 3351 | + use specialfuncs | |
| 3352 | + implicit none | |
| 3353 | + integer :: nodrx,nodry,idir,itran,iy,jx,istore | |
| 3354 | + integer :: nr1,nr2,nt1,nt2,ne1,ne2 | |
| 3355 | + real(8) :: xj(3),xi(3),xij(3),rij,nfdist | |
| 3356 | + complex(8) :: cx1(0:nodrx+1,nodrx,2),cy1(0:nodry+1,nodry,2), & | |
| 3357 | + cx2(0:nodrx+1,nodrx,2),cy2(0:nodry+1,nodry,2) | |
| 3358 | + xj(:)=sphere_position(:,jx) | |
| 3359 | + xi(:)=sphere_position(:,iy) | |
| 3360 | + xij=xi-xj | |
| 3361 | + rij=sqrt(dot_product(xij,xij)) | |
| 3362 | + if(near_field_distance.lt.0.) then | |
| 3363 | + nfdist=(.5*(nodrx+nodry))**2. | |
| 3364 | + else | |
| 3365 | + nfdist=near_field_distance | |
| 3366 | + endif | |
| 3367 | + if(rij.gt.nfdist) then | |
| 3368 | + if(store_tran_mat.eq.2) then | |
| 3369 | + nt1=nofftran(iy,jx)+1 | |
| 3370 | + nt2=nt1+nsizetran(iy,jx)-1 | |
| 3371 | + call farfieldtranslationtwovec(cx1,cx2,cy1,cy2,xij,(1.d0,0.d0),nodrx,nodry, & | |
| 3372 | + stored_pivec_matrix=tranmatstore(nt1:nt2)) | |
| 3373 | + else | |
| 3374 | + call farfieldtranslationtwovec(cx1,cx2,cy1,cy2,xij,(1.d0,0.d0),nodrx,nodry) | |
| 3375 | + endif | |
| 3376 | + else | |
| 3377 | + if(store_tran_mat.eq.0) then | |
| 3378 | + call rottran(cx1,cy1,xij,(1.d0,0.d0),nodrx,nodry,3,1,1,1) | |
| 3379 | + call rottran(cx2,cy2,xij,(1.d0,0.d0),nodrx,nodry,3,0,-1,-1) | |
| 3380 | + else | |
| 3381 | + nr1=noffrot(iy,jx)+1 | |
| 3382 | + nr2=nr1+nsizerot(iy,jx)-1 | |
| 3383 | + nt1=nofftran(iy,jx)+1 | |
| 3384 | + nt2=nt1+nsizetran(iy,jx)-1 | |
| 3385 | + ne1=noffephi(iy,jx)+1 | |
| 3386 | + ne2=ne1+nsizeephi(iy,jx)-1 | |
| 3387 | + call rottranmtrxtwovec(cx1,cx2,cy1,cy2,nodrx,nodry,ephimatstore(ne1:ne2), & | |
| 3388 | + rotmatstore(nr1:nr2),tranmatstore(nt1:nt2)) | |
| 3389 | + endif | |
| 3390 | + endif | |
| 3391 | + end subroutine rottrantwojtoi | |
| 3392 | +! | |
| 3393 | +! the vectorized rotation-translation-rotation operation | |
| 3394 | +! | |
| 3395 | +! | |
| 3396 | +! last revised: 15 January 2011 | |
| 3397 | +! | |
| 3398 | + subroutine rottranmtrx(cx,cy,idir,itran,nodrx,nodry,ephimat,rotmat,tranmat) | |
| 3399 | + use numconstants | |
| 3400 | + use specialfuncs | |
| 3401 | + implicit none | |
| 3402 | + integer :: nodrx,nodry,itype,icalc,idir,itran,nmax,nmin | |
| 3403 | + integer :: m,n,k,l,nn1,nn2,ll1,mn,kl,m1,p,n1,addr(2) | |
| 3404 | + real(8), target :: rotmat(-min(nodrx,nodry):min(nodrx,nodry), & | |
| 3405 | + 0:max(nodrx,nodry)*(max(nodrx,nodry)+2)) | |
| 3406 | + real(8), pointer :: rmat(:,:) | |
| 3407 | + complex(8) :: cx(0:nodrx+1,nodrx,2),cy(0:nodry+1,nodry,2), & | |
| 3408 | + ephimat(-max(nodrx,nodry):max(nodrx,nodry)) | |
| 3409 | + complex(8), target :: tranmat(nodry,nodrx*(nodrx+3)/2,2) | |
| 3410 | + complex(8), pointer :: tmat1(:,:),tmat2(:,:) | |
| 3411 | + c_temp=(0.d0,0.d0) | |
| 3412 | + nmin=min(nodrx,nodry) | |
| 3413 | +! | |
| 3414 | +! rotation to origin of target | |
| 3415 | +! | |
| 3416 | + do n=1,nodrx | |
| 3417 | + nn1=n*(n+1)-n | |
| 3418 | + nn2=nn1+(2*n+1)-1 | |
| 3419 | + n1=min(n,nodry) | |
| 3420 | + rmat=>rotmat(-n1:n1,nn1:nn2) | |
| 3421 | + do p=1,2 | |
| 3422 | + rvec_temp(-n:-1,p)=cx(n+1,n:1:-1,p) | |
| 3423 | + rvec_temp(0:n,p)=cx(0:n,n,p) | |
| 3424 | + if(itran.eq.1) then | |
| 3425 | + rvec_temp(-n:n,p)=rvec_temp(-n:n,p)*ephimat(-n:n) | |
| 3426 | + else | |
| 3427 | + rvec_temp(-n:n,p)=rvec_temp(-n:n,p)*conjg(ephimat(-n:n)) | |
| 3428 | + endif | |
| 3429 | + enddo | |
| 3430 | + c_temp(-n1:n1,n,1:2)=matmul(rmat,rvec_temp(-n:n,1:2)) | |
| 3431 | + enddo | |
| 3432 | +! | |
| 3433 | +! axial translation to target | |
| 3434 | +! | |
| 3435 | + do m=0,nmin | |
| 3436 | + m1=max(1,m) | |
| 3437 | + nn1=atcadd(m,m1,nodrx) | |
| 3438 | + nn2=atcadd(m,nodrx,nodrx) | |
| 3439 | + tmat1=>tranmat(m1:nodry,nn1:nn2,1) | |
| 3440 | + tmat2=>tranmat(m1:nodry,nn1:nn2,2) | |
| 3441 | + tvec_temp(m1:nodrx,1)=idir*c_temp(m,m1:nodrx,1) | |
| 3442 | + tvec_temp(m1:nodrx,2)=c_temp(m,m1:nodrx,2) | |
| 3443 | + if(itran*idir.eq.-1) then | |
| 3444 | + tvec_temp(m1:nodrx,1)=tvec_temp(m1:nodrx,1)*monen(m1:nodrx) | |
| 3445 | + tvec_temp(m1:nodrx,2)=tvec_temp(m1:nodrx,2)*monen(m1:nodrx) | |
| 3446 | + endif | |
| 3447 | + ct_temp=(0.d0,0.d0) | |
| 3448 | + ct_temp(m1:nodry,1,1:2)=matmul(tmat1,tvec_temp(m1:nodrx,1:2)) | |
| 3449 | + ct_temp(m1:nodry,2,1:2)=matmul(tmat2,tvec_temp(m1:nodrx,1:2)) | |
| 3450 | + c_temp(m,m1:nodry,1)=idir*(ct_temp(m1:nodry,1,1)+ct_temp(m1:nodry,2,2)) | |
| 3451 | + c_temp(m,m1:nodry,2)=ct_temp(m1:nodry,2,1)+ct_temp(m1:nodry,1,2) | |
| 3452 | + if(itran*idir.eq.-1) then | |
| 3453 | + c_temp(m,m1:nodry,1)=c_temp(m,m1:nodry,1)*monen(m1:nodry) | |
| 3454 | + c_temp(m,m1:nodry,2)=c_temp(m,m1:nodry,2)*monen(m1:nodry) | |
| 3455 | + endif | |
| 3456 | + if(m.gt.0) then | |
| 3457 | + tvec_temp(m1:nodrx,1)=idir*c_temp(-m,m1:nodrx,1) | |
| 3458 | + tvec_temp(m1:nodrx,2)=c_temp(-m,m1:nodrx,2) | |
| 3459 | + if(itran*idir.eq.-1) then | |
| 3460 | + tvec_temp(m1:nodrx,1)=tvec_temp(m1:nodrx,1)*monen(m1:nodrx) | |
| 3461 | + tvec_temp(m1:nodrx,2)=tvec_temp(m1:nodrx,2)*monen(m1:nodrx) | |
| 3462 | + endif | |
| 3463 | + ct_temp=(0.d0,0.d0) | |
| 3464 | + ct_temp(m1:nodry,1,1:2)=matmul(tmat1,tvec_temp(m1:nodrx,1:2)) | |
| 3465 | + ct_temp(m1:nodry,2,1:2)=matmul(tmat2,tvec_temp(m1:nodrx,1:2)) | |
| 3466 | + c_temp(-m,m1:nodry,1)=idir*(ct_temp(m1:nodry,1,1)-ct_temp(m1:nodry,2,2)) | |
| 3467 | + c_temp(-m,m1:nodry,2)=-ct_temp(m1:nodry,2,1)+ct_temp(m1:nodry,1,2) | |
| 3468 | + if(itran*idir.eq.-1) then | |
| 3469 | + c_temp(-m,m1:nodry,1)=c_temp(-m,m1:nodry,1)*monen(m1:nodry) | |
| 3470 | + c_temp(-m,m1:nodry,2)=c_temp(-m,m1:nodry,2)*monen(m1:nodry) | |
| 3471 | + endif | |
| 3472 | + endif | |
| 3473 | + enddo | |
| 3474 | +! | |
| 3475 | +! rotation back to original frame | |
| 3476 | +! | |
| 3477 | + do n=1,nodry | |
| 3478 | + rvec_temp=(0.d0,0.d0) | |
| 3479 | + m1=min(n,nmin) | |
| 3480 | + nn1=n*(n+1)-n | |
| 3481 | + nn2=n*(n+1)+n | |
| 3482 | + rmat=>rotmat(-m1:m1,nn1:nn2) | |
| 3483 | + do p=1,2 | |
| 3484 | + if(itran.eq.1) then | |
| 3485 | + rvec_temp(-n:n,p)=matmul(c_temp(-m1:m1,n,p),rmat)*conjg(ephimat(-n:n)) | |
| 3486 | + else | |
| 3487 | + rvec_temp(-n:n,p)=matmul(c_temp(-m1:m1,n,p),rmat)*ephimat(-n:n) | |
| 3488 | + endif | |
| 3489 | + cy(n+1,n:1:-1,p)=cy(n+1,n:1:-1,p)+rvec_temp(-n:-1,p) | |
| 3490 | + cy(0:n,n,p)=cy(0:n,n,p)+rvec_temp(0:n,p) | |
| 3491 | + enddo | |
| 3492 | + enddo | |
| 3493 | + end subroutine rottranmtrx | |
| 3494 | +! | |
| 3495 | +! two vector rotation: normal and transpose | |
| 3496 | +! november 2011 | |
| 3497 | +! | |
| 3498 | + subroutine rottranmtrxtwovec(cx1,cx2,cy1,cy2,nodrx,nodry, & | |
| 3499 | + ephimat,rotmat,tranmat) | |
| 3500 | + use numconstants | |
| 3501 | + use specialfuncs | |
| 3502 | + implicit none | |
| 3503 | + integer :: nodrx,nodry,itype,icalc,idir,itran,nmax,nmin | |
| 3504 | + integer :: m,n,k,l,nn1,nn2,ll1,mn,kl,m1,p,n1,addr(2) | |
| 3505 | + real(8), target :: rotmat(-min(nodrx,nodry):min(nodrx,nodry), & | |
| 3506 | + 0:max(nodrx,nodry)*(max(nodrx,nodry)+2)) | |
| 3507 | + real(8), pointer :: rmat(:,:) | |
| 3508 | + complex(8) :: cx1(0:nodrx+1,nodrx,2),cy1(0:nodry+1,nodry,2), & | |
| 3509 | + cx2(0:nodrx+1,nodrx,2),cy2(0:nodry+1,nodry,2), & | |
| 3510 | + ephimat(-max(nodrx,nodry):max(nodrx,nodry)) | |
| 3511 | + complex(8), target :: tranmat(nodry,nodrx*(nodrx+3)/2,2) | |
| 3512 | + complex(8), pointer :: tmat1(:,:),tmat2(:,:) | |
| 3513 | + c_temp=(0.d0,0.d0) | |
| 3514 | + nmin=min(nodrx,nodry) | |
| 3515 | +! | |
| 3516 | +! rotation to origin of target | |
| 3517 | +! | |
| 3518 | + do n=1,nodrx | |
| 3519 | + nn1=n*(n+1)-n | |
| 3520 | + nn2=nn1+(2*n+1)-1 | |
| 3521 | + n1=min(n,nodry) | |
| 3522 | + rmat=>rotmat(-n1:n1,nn1:nn2) | |
| 3523 | + do p=1,2 | |
| 3524 | + rvec_temp(-n:-1,p)=cx1(n+1,n:1:-1,p) | |
| 3525 | + rvec_temp(0:n,p)=cx1(0:n,n,p) | |
| 3526 | + rvec2_temp(-n:-1,p)=cx2(n+1,n:1:-1,p) | |
| 3527 | + rvec2_temp(0:n,p)=cx2(0:n,n,p) | |
| 3528 | + rvec_temp(-n:n,p)=rvec_temp(-n:n,p)*ephimat(-n:n) | |
| 3529 | + rvec2_temp(-n:n,p)=rvec2_temp(-n:n,p)*conjg(ephimat(-n:n)) | |
| 3530 | + enddo | |
| 3531 | + c_temp(-n1:n1,n,1:2)=matmul(rmat,rvec_temp(-n:n,1:2)) | |
| 3532 | + c2_temp(-n1:n1,n,1:2)=matmul(rmat,rvec2_temp(-n:n,1:2)) | |
| 3533 | + enddo | |
| 3534 | +! | |
| 3535 | +! axial translation to target | |
| 3536 | +! | |
| 3537 | + do m=0,nmin | |
| 3538 | + m1=max(1,m) | |
| 3539 | + nn1=atcadd(m,m1,nodrx) | |
| 3540 | + nn2=atcadd(m,nodrx,nodrx) | |
| 3541 | + tmat1=>tranmat(m1:nodry,nn1:nn2,1) | |
| 3542 | + tmat2=>tranmat(m1:nodry,nn1:nn2,2) | |
| 3543 | + tvec_temp(m1:nodrx,1)=c_temp(m,m1:nodrx,1) | |
| 3544 | + tvec_temp(m1:nodrx,2)=c_temp(m,m1:nodrx,2) | |
| 3545 | + tvec2_temp(m1:nodrx,1)=-c2_temp(m,m1:nodrx,1) | |
| 3546 | + tvec2_temp(m1:nodrx,2)=c2_temp(m,m1:nodrx,2) | |
| 3547 | + ct_temp=(0.d0,0.d0) | |
| 3548 | + ct2_temp=(0.d0,0.d0) | |
| 3549 | + ct_temp(m1:nodry,1,1:2)=matmul(tmat1,tvec_temp(m1:nodrx,1:2)) | |
| 3550 | + ct_temp(m1:nodry,2,1:2)=matmul(tmat2,tvec_temp(m1:nodrx,1:2)) | |
| 3551 | + ct2_temp(m1:nodry,1,1:2)=matmul(tmat1,tvec2_temp(m1:nodrx,1:2)) | |
| 3552 | + ct2_temp(m1:nodry,2,1:2)=matmul(tmat2,tvec2_temp(m1:nodrx,1:2)) | |
| 3553 | + c_temp(m,m1:nodry,1)=(ct_temp(m1:nodry,1,1)+ct_temp(m1:nodry,2,2)) | |
| 3554 | + c_temp(m,m1:nodry,2)=ct_temp(m1:nodry,2,1)+ct_temp(m1:nodry,1,2) | |
| 3555 | + c2_temp(m,m1:nodry,1)=-(ct2_temp(m1:nodry,1,1)+ct2_temp(m1:nodry,2,2)) | |
| 3556 | + c2_temp(m,m1:nodry,2)=ct2_temp(m1:nodry,2,1)+ct2_temp(m1:nodry,1,2) | |
| 3557 | + if(m.gt.0) then | |
| 3558 | + tvec_temp(m1:nodrx,1)=c_temp(-m,m1:nodrx,1) | |
| 3559 | + tvec_temp(m1:nodrx,2)=c_temp(-m,m1:nodrx,2) | |
| 3560 | + tvec2_temp(m1:nodrx,1)=-c2_temp(-m,m1:nodrx,1) | |
| 3561 | + tvec2_temp(m1:nodrx,2)=c2_temp(-m,m1:nodrx,2) | |
| 3562 | + ct_temp=(0.d0,0.d0) | |
| 3563 | + ct2_temp=(0.d0,0.d0) | |
| 3564 | + ct_temp(m1:nodry,1,1:2)=matmul(tmat1,tvec_temp(m1:nodrx,1:2)) | |
| 3565 | + ct_temp(m1:nodry,2,1:2)=matmul(tmat2,tvec_temp(m1:nodrx,1:2)) | |
| 3566 | + ct2_temp(m1:nodry,1,1:2)=matmul(tmat1,tvec2_temp(m1:nodrx,1:2)) | |
| 3567 | + ct2_temp(m1:nodry,2,1:2)=matmul(tmat2,tvec2_temp(m1:nodrx,1:2)) | |
| 3568 | + c_temp(-m,m1:nodry,1)=(ct_temp(m1:nodry,1,1)-ct_temp(m1:nodry,2,2)) | |
| 3569 | + c_temp(-m,m1:nodry,2)=-ct_temp(m1:nodry,2,1)+ct_temp(m1:nodry,1,2) | |
| 3570 | + c2_temp(-m,m1:nodry,1)=-(ct2_temp(m1:nodry,1,1)-ct2_temp(m1:nodry,2,2)) | |
| 3571 | + c2_temp(-m,m1:nodry,2)=-ct2_temp(m1:nodry,2,1)+ct2_temp(m1:nodry,1,2) | |
| 3572 | + endif | |
| 3573 | + enddo | |
| 3574 | +! | |
| 3575 | +! rotation back to original frame | |
| 3576 | +! | |
| 3577 | + do n=1,nodry | |
| 3578 | + rvec_temp=(0.d0,0.d0) | |
| 3579 | + rvec2_temp=(0.d0,0.d0) | |
| 3580 | + m1=min(n,nmin) | |
| 3581 | + nn1=n*(n+1)-n | |
| 3582 | + nn2=n*(n+1)+n | |
| 3583 | + rmat=>rotmat(-m1:m1,nn1:nn2) | |
| 3584 | + do p=1,2 | |
| 3585 | + rvec_temp(-n:n,p)=matmul(c_temp(-m1:m1,n,p),rmat)*conjg(ephimat(-n:n)) | |
| 3586 | + rvec2_temp(-n:n,p)=matmul(c2_temp(-m1:m1,n,p),rmat)*ephimat(-n:n) | |
| 3587 | + cy1(n+1,n:1:-1,p)=cy1(n+1,n:1:-1,p)+rvec_temp(-n:-1,p) | |
| 3588 | + cy1(0:n,n,p)=cy1(0:n,n,p)+rvec_temp(0:n,p) | |
| 3589 | + cy2(n+1,n:1:-1,p)=cy2(n+1,n:1:-1,p)+rvec2_temp(-n:-1,p) | |
| 3590 | + cy2(0:n,n,p)=cy2(0:n,n,p)+rvec2_temp(0:n,p) | |
| 3591 | + enddo | |
| 3592 | + enddo | |
| 3593 | + end subroutine rottranmtrxtwovec | |
| 3594 | +! | |
| 3595 | +! GB coefficients for sphere-centered expansions, obtained via translation | |
| 3596 | +! | |
| 3597 | +! last revised: 15 January 2011 | |
| 3598 | +! | |
| 3599 | + subroutine spheregaussianbeamcoef(nsphere,neqns,nodr,alpha,beta,cbeam, & | |
| 3600 | + rpos,rbeam,epstran,pmnp) | |
| 3601 | + use specialfuncs | |
| 3602 | + implicit none | |
| 3603 | + integer :: m,n,p,nsphere,i,l,nodr(nsphere),nblk,noff,nodrgb,neqns,k | |
| 3604 | + real(8) :: alpha,beta,cb,sb,ca,sa,rpos(3,nsphere),rmax,rbeam(3),xib(3),rib, & | |
| 3605 | + cbeam,epstran | |
| 3606 | + complex(8) :: pmnp(neqns,2) | |
| 3607 | + complex(8), allocatable :: pmnp0(:,:,:,:) | |
| 3608 | + nodrgb=0 | |
| 3609 | + rmax=0.d0 | |
| 3610 | + do i=1,nsphere | |
| 3611 | + xib(:)=rpos(:,i)-rbeam(:) | |
| 3612 | + rib=sqrt(dot_product(xib,xib)) | |
| 3613 | + rmax=max(rmax,rib) | |
| 3614 | + call tranordertest(rib,(1.d0,0.d0),nodr(i),epstran,n) | |
| 3615 | + nodrgb=max(n,nodrgb) | |
| 3616 | + enddo | |
| 3617 | + allocate(pmnp0(0:nodrgb+1,nodrgb,2,2)) | |
| 3618 | + call gaussianbeamcoef(alpha,beta,cbeam,nodrgb,pmnp0) | |
| 3619 | + pmnp=0.d0 | |
| 3620 | + noff=0 | |
| 3621 | + do i=1,nsphere | |
| 3622 | + nblk=2*nodr(i)*(nodr(i)+2) | |
| 3623 | + xib(:)=rpos(:,i)-rbeam(:) | |
| 3624 | + do k=1,2 | |
| 3625 | + call rottran(pmnp0(0:nodrgb+1,1:nodrgb,1:2,k),pmnp(noff+1:noff+nblk,k),xib, & | |
| 3626 | + (1.d0,0.d0),nodrgb,nodr(i),1,1,1,1) | |
| 3627 | + enddo | |
| 3628 | + noff=noff+nblk | |
| 3629 | + enddo | |
| 3630 | + deallocate(pmnp0) | |
| 3631 | + end subroutine spheregaussianbeamcoef | |
| 3632 | + | |
| 3633 | + end module translation | |
| 3634 | +! | |
| 3635 | +! scatprops module: various subroutines for calculation of observables from the solution | |
| 3636 | +! | |
| 3637 | +! | |
| 3638 | +! last revised: 15 January 2011 | |
| 3639 | +! | |
| 3640 | + module scatprops | |
| 3641 | + implicit none | |
| 3642 | + contains | |
| 3643 | +! | |
| 3644 | +! determination of maximum orders for target--based expansions | |
| 3645 | +! | |
| 3646 | +! | |
| 3647 | +! last revised: 15 January 2011 | |
| 3648 | +! | |
| 3649 | + subroutine tranorders(nsphere,nodr,rpos,eps,ntran,nodrt) | |
| 3650 | + use numconstants | |
| 3651 | + use specialfuncs | |
| 3652 | + use translation | |
| 3653 | + implicit none | |
| 3654 | + integer :: nsphere,nodr(nsphere),nodrt,ntran(nsphere),i | |
| 3655 | + real(8) :: rpos(3,nsphere),r,eps | |
| 3656 | + nodrt=0 | |
| 3657 | + do i=1,nsphere | |
| 3658 | + r=sqrt(dot_product(rpos(:,i),rpos(:,i))) | |
| 3659 | + call tranordertest(r,(1.d0,0.d0),nodr(i),eps,ntran(i)) | |
| 3660 | + if(print_intermediate_results.eq.1) & | |
| 3661 | + write(*,'('' i, nodr, ntran:'',3i7)') i,nodr(i),ntran(i) | |
| 3662 | + nodrt=max(nodrt,ntran(i)) | |
| 3663 | + enddo | |
| 3664 | + end subroutine tranorders | |
| 3665 | +! | |
| 3666 | +! translation of sphere-based expansions to common target origin | |
| 3667 | +! | |
| 3668 | +! | |
| 3669 | +! last revised: 15 January 2011 | |
| 3670 | +! | |
| 3671 | + subroutine amncommonorigin(neqns,nsphere,nodr,ntran,nodrt,rpos,amnp,amnp0) | |
| 3672 | + use specialfuncs | |
| 3673 | + use translation | |
| 3674 | + implicit none | |
| 3675 | + integer :: neqns,nsphere,nodr(nsphere),nodrt,i,m,n,p,nblk,ntran(nsphere),noff | |
| 3676 | + real(8) :: rpos(3,nsphere),r,eps,xij(3) | |
| 3677 | + complex(8) :: amnp(neqns),amnp0(0:nodrt+1,nodrt,2) | |
| 3678 | + complex(8), allocatable :: amnpt(:,:,:) | |
| 3679 | + amnp0=(0.d0,0.d0) | |
| 3680 | + noff=0 | |
| 3681 | + do i=1,nsphere | |
| 3682 | + allocate(amnpt(0:ntran(i)+1,ntran(i),2)) | |
| 3683 | + amnpt=(0.d0,0.d0) | |
| 3684 | + nblk=nodr(i)*(nodr(i)+2)*2 | |
| 3685 | + xij=-rpos(:,i) | |
| 3686 | + call rottran(amnp(noff+1:noff+nblk),amnpt,xij,(1.d0,0.d0), & | |
| 3687 | + nodr(i),ntran(i),1,1,1,1) | |
| 3688 | + do p=1,2 | |
| 3689 | + do n=1,ntran(i) | |
| 3690 | + do m=0,ntran(i)+1 | |
| 3691 | + amnp0(m,n,p)=amnp0(m,n,p)+amnpt(m,n,p) | |
| 3692 | + enddo | |
| 3693 | + enddo | |
| 3694 | + enddo | |
| 3695 | + deallocate(amnpt) | |
| 3696 | + noff=noff+nblk | |
| 3697 | + enddo | |
| 3698 | + end subroutine amncommonorigin | |
| 3699 | +! | |
| 3700 | +! sphereqeff computes the efficiency factors for the sphere, given an1: mie coefficients, | |
| 3701 | +! anp: scattering coefficients, pnp: incident field coefficients. | |
| 3702 | +! | |
| 3703 | +! This subroutine is specific to the OA model for the sphere. | |
| 3704 | +! | |
| 3705 | +! | |
| 3706 | +! original: 15 January 2011 | |
| 3707 | +! revised: 21 February 2011: polarized and cross-polarized efficiency calculation | |
| 3708 | +! 30 March 2011: added optical activity | |
| 3709 | +! | |
| 3710 | + subroutine sphereqeff(nsphere,neqns,nodr,nodrmax,xsp,anp1,anp2,& | |
| 3711 | + pnp1,pnp2,qext,qabs,qsca) | |
| 3712 | + use miecoefdata | |
| 3713 | + use spheredata | |
| 3714 | + implicit none | |
| 3715 | + integer :: nsphere,m,n,p,i,nodr(nsphere),nblk,noff,neqns,nodrmax | |
| 3716 | + real(8) :: xsp(nsphere),qext(nsphere),qabs(nsphere),qsca(nsphere), & | |
| 3717 | + qe,qa,qs | |
| 3718 | + complex(8) :: anp1(neqns),pnp1(neqns),anp2(neqns),pnp2(neqns) | |
| 3719 | + complex(8) :: anmie(2,2,nodrmax) | |
| 3720 | + qext=0.d0 | |
| 3721 | + qabs=0.d0 | |
| 3722 | + qsca=0.d0 | |
| 3723 | + noff=0 | |
| 3724 | + do i=1,nsphere | |
| 3725 | + nblk=nodr(i)*(nodr(i)+2)*2 | |
| 3726 | + call getmiedata(which_sphere=i,sphere_mie_coefficients=anmie) | |
| 3727 | + call qeffcalc(nodr(i),anp1(noff+1:noff+nblk),anp2(noff+1:noff+nblk), & | |
| 3728 | + pnp1(noff+1:noff+nblk),pnp2(noff+1:noff+nblk),anmie,qe,qa,qs) | |
| 3729 | + noff=noff+nblk | |
| 3730 | + qext(i)=2.d0*qe/xsp(i)/xsp(i) | |
| 3731 | + qabs(i)=2.d0*qa/xsp(i)/xsp(i) | |
| 3732 | + qsca(i)=2.d0*qs/xsp(i)/xsp(i) | |
| 3733 | + enddo | |
| 3734 | + end subroutine sphereqeff | |
| 3735 | +! | |
| 3736 | +! calculation of sphere efficiency factors for scattered and incident field | |
| 3737 | +! coefficient anp1, pnp1, anp2, pnp2 and mie coefficients anmie | |
| 3738 | +! | |
| 3739 | +! original: 15 January 2011 | |
| 3740 | +! revised: 21 February 2011: polarized and cross-polarized efficiency calculation | |
| 3741 | +! 30 March 2011: added optical activity | |
| 3742 | +! | |
| 3743 | + subroutine qeffcalc(nodr,anp1,anp2,pnp1,pnp2,anmie,qe,qa,qs) | |
| 3744 | + implicit none | |
| 3745 | + integer :: nodr,m,n,p,q | |
| 3746 | + real(8) :: qe,qa,qs,babs,aninv(2,2) | |
| 3747 | + complex(8) :: anp1(0:nodr+1,nodr,2),pnp1(0:nodr+1,nodr,2), & | |
| 3748 | + anp2(0:nodr+1,nodr,2),pnp2(0:nodr+1,nodr,2),anmie(2,2,nodr), & | |
| 3749 | + a | |
| 3750 | + qe=0.d0 | |
| 3751 | + qa=0.d0 | |
| 3752 | + qs=0.d0 | |
| 3753 | + do n=1,nodr | |
| 3754 | + a=anmie(1,1,n)*anmie(2,2,n)-anmie(1,2,n)*anmie(1,2,n) | |
| 3755 | + do p=1,2 | |
| 3756 | + do q=1,2 | |
| 3757 | + aninv(p,q)=(-1)**(p+q)*anmie(3-p,3-q,n)/a | |
| 3758 | + enddo | |
| 3759 | + aninv(p,p)=aninv(p,p)+1.d0 | |
| 3760 | + enddo | |
| 3761 | + do p=1,2 | |
| 3762 | +! babs=-(1.d0/anmie(p,n)+1.d0) | |
| 3763 | + do m=-n,-1 | |
| 3764 | + qe=qe-(anp1(n+1,-m,p)*conjg(pnp2(n+1,-m,p)) & | |
| 3765 | + + anp2(n+1,-m,p)*conjg(pnp1(n+1,-m,p)))*.5d0 | |
| 3766 | + qs=qs+anp1(n+1,-m,p)*conjg(anp2(n+1,-m,p)) | |
| 3767 | + do q=1,2 | |
| 3768 | + qa=qa-conjg(anp1(n+1,-m,p))*aninv(p,q)*anp2(n+1,-m,q) | |
| 3769 | + enddo | |
| 3770 | + enddo | |
| 3771 | + do m=0,n | |
| 3772 | + qe=qe-(anp1(m,n,p)*conjg(pnp2(m,n,p)) & | |
| 3773 | + +anp2(m,n,p)*conjg(pnp1(m,n,p)))*.5d0 | |
| 3774 | + qs=qs+anp1(m,n,p)*conjg(anp2(m,n,p)) | |
| 3775 | + do q=1,2 | |
| 3776 | + qa=qa-conjg(anp1(m,n,p))*aninv(p,q)*anp2(m,n,q) | |
| 3777 | + enddo | |
| 3778 | + enddo | |
| 3779 | + enddo | |
| 3780 | + enddo | |
| 3781 | + end subroutine qeffcalc | |
| 3782 | +! | |
| 3783 | +! scattering amplitude sa and matrix sm calculation | |
| 3784 | +! | |
| 3785 | +! original: 15 January 2011 | |
| 3786 | +! revised: 21 February 2011: S11 normalization changed | |
| 3787 | +! | |
| 3788 | + subroutine scatteringmatrix(amn0,nodrt,xv,ct,phi,sa,sm) | |
| 3789 | + use specialfuncs | |
| 3790 | + use numconstants | |
| 3791 | + implicit none | |
| 3792 | + integer :: nodrt,m,n,p,m1,n1,i,j | |
| 3793 | + real(8) :: xv,ct,phi,sm(4,4),tau(0:nodrt+1,nodrt,2),cphi,sphi,qsca | |
| 3794 | + complex(8) :: amn0(0:nodrt+1,nodrt,2,2),sa(4),ephi,ephim(-nodrt:nodrt), & | |
| 3795 | + ci,cin,a,b,sp(4,4) | |
| 3796 | + data ci/(0.d0,1.d0)/ | |
| 3797 | + | |
| 3798 | + | |
| 3799 | + call taufunc(ct,nodrt,tau) | |
| 3800 | + cphi=cos(phi) | |
| 3801 | + sphi=sin(phi) | |
| 3802 | + ephi=dcmplx(cphi,sphi) | |
| 3803 | + call ephicoef(ephi,nodrt,ephim) | |
| 3804 | + sa=(0.d0,0.d0) | |
| 3805 | + qsca=0.d0 | |
| 3806 | + do n=1,nodrt | |
| 3807 | + cin=(-ci)**n | |
| 3808 | + do m=-n,n | |
| 3809 | + if(m.le.-1) then | |
| 3810 | + m1=n+1 | |
| 3811 | + n1=-m | |
| 3812 | + else | |
| 3813 | + m1=m | |
| 3814 | + n1=n | |
| 3815 | + endif | |
| 3816 | + do p=1,2 | |
| 3817 | + qsca=qsca+amn0(m1,n1,p,1)*dconjg(amn0(m1,n1,p,1)) & | |
| 3818 | + + amn0(m1,n1,p,2)*dconjg(amn0(m1,n1,p,2)) | |
| 3819 | + a=amn0(m1,n1,p,1)*cphi+amn0(m1,n1,p,2)*sphi | |
| 3820 | + b=amn0(m1,n1,p,1)*sphi-amn0(m1,n1,p,2)*cphi | |
| 3821 | + sa(1)=sa(1)+cin*tau(m1,n1,3-p)*b*ephim(m) | |
| 3822 | + sa(2)=sa(2)+ci*cin*tau(m1,n1,p)*a*ephim(m) | |
| 3823 | + sa(3)=sa(3)+ci*cin*tau(m1,n1,p)*b*ephim(m) | |
| 3824 | + sa(4)=sa(4)+cin*tau(m1,n1,3-p)*a*ephim(m) | |
| 3825 | + enddo | |
| 3826 | + enddo | |
| 3827 | + enddo | |
| 3828 | + qsca=qsca*2.d0 | |
| 3829 | + do i=1,4 | |
| 3830 | + do j=1,4 | |
| 3831 | + sp(i,j)=sa(i)*dconjg(sa(j))*16.d0/qsca | |
| 3832 | + enddo | |
| 3833 | + enddo | |
| 3834 | + sm(1,1)=sp(1,1)+sp(2,2)+sp(3,3)+sp(4,4) | |
| 3835 | + sm(1,2)=-sp(1,1)+sp(2,2)-sp(3,3)+sp(4,4) | |
| 3836 | + sm(2,1)=-sp(1,1)+sp(2,2)+sp(3,3)-sp(4,4) | |
| 3837 | + sm(2,2)=sp(1,1)+sp(2,2)-sp(3,3)-sp(4,4) | |
| 3838 | + sm(3,3)=2.*(sp(1,2)+sp(3,4)) | |
| 3839 | + sm(3,4)=-2.*dimag(sp(1,2)+sp(3,4)) | |
| 3840 | + sm(4,3)=2.*dimag(sp(1,2)-sp(3,4)) | |
| 3841 | + sm(4,4)=2.*(sp(1,2)-sp(3,4)) | |
| 3842 | + sm(1,3)=2.*(sp(2,3)+sp(1,4)) | |
| 3843 | + sm(3,1)=2.*(sp(2,4)+sp(1,3)) | |
| 3844 | + sm(1,4)=2.*dimag(sp(2,3)-sp(1,4)) | |
| 3845 | + sm(4,1)=-2.*dimag(sp(2,4)+sp(1,3)) | |
| 3846 | + sm(2,3)=2.*(sp(2,3)-sp(1,4)) | |
| 3847 | + sm(3,2)=2.*(sp(2,4)-sp(1,3)) | |
| 3848 | + sm(2,4)=2.*dimag(sp(2,3)+sp(1,4)) | |
| 3849 | + sm(4,2)=-2.*dimag(sp(2,4)-sp(1,3)) | |
| 3850 | +! do i=1,4 | |
| 3851 | +! do j=1,4 | |
| 3852 | +! if(i.ne.1.or.j.ne.1) then | |
| 3853 | +! sm(i,j)=sm(i,j)/sm(1,1) | |
| 3854 | +! endif | |
| 3855 | +! enddo | |
| 3856 | +! enddo | |
| 3857 | + end subroutine scatteringmatrix | |
| 3858 | +! c c | |
| 3859 | +! c subroutine scatexp(amn0,nodrt,nodrg,gmn) computes the expansion coefficients c | |
| 3860 | +! c for the spherical harmonic expansion of the scattering phase function from c | |
| 3861 | +! c the scattering coefficients amn0. For a complete expansion, the max. order c | |
| 3862 | +! c of the phase function expansion (nodrg) will be 2*nodrt, where nodrt is c | |
| 3863 | +! c the max. order of the scattered field expansion. In this code nodrg is c | |
| 3864 | +! c typically set to 1, so that the subroutine returns the first moments c | |
| 3865 | +! c of the phase function; gmn(1) and gmn(2). c | |
| 3866 | +! c c | |
| 3867 | +! c The expansion coefficients are normalized so that gmn(0)=1 c | |
| 3868 | +! c c | |
| 3869 | +! c gmn(1)/3 is the asymmetry parameter. c | |
| 3870 | +! c c | |
| 3871 | + subroutine s11expansion(amn0,nodrt,mmax,nodrg,gmn) | |
| 3872 | + use specialfuncs | |
| 3873 | + use numconstants | |
| 3874 | + implicit none | |
| 3875 | + integer :: nodrt,m,n,p,ma,na,mmax,nodrg,w,w1,w2,u,uw,ww1, & | |
| 3876 | + l1,l2,ka,la,k,l,q,ik | |
| 3877 | + real(8) :: vc1(0:nodrt*2+1),vc2(0:nodrt*2+1),g0 | |
| 3878 | + complex(8) :: amn0(0:nodrt+1,nodrt,2,2),gmn(0:nodrg*(nodrg+3)/2), & | |
| 3879 | + a(2,2),c,c2 | |
| 3880 | + gmn=(0.d0,0.d0) | |
| 3881 | + do n=1,nodrt | |
| 3882 | + l1=max(1,n-nodrg) | |
| 3883 | + l2=min(nodrt,n+nodrg) | |
| 3884 | + do l=l1,l2 | |
| 3885 | + c=sqrt(dble((n+n+1)*(l+l+1)))*dcmplx(0.d0,1.d0)**(l-n) | |
| 3886 | + w2=min(n+l,nodrg) | |
| 3887 | + call vcfunc(-1,l,1,n,vc2) | |
| 3888 | + do m=-n,n | |
| 3889 | + if(m.le.-1) then | |
| 3890 | + ma=n+1 | |
| 3891 | + na=-m | |
| 3892 | + else | |
| 3893 | + ma=m | |
| 3894 | + na=n | |
| 3895 | + endif | |
| 3896 | + do k=-l,min(l,m) | |
| 3897 | + if(k.le.-1) then | |
| 3898 | + ka=l+1 | |
| 3899 | + la=-k | |
| 3900 | + else | |
| 3901 | + ka=k | |
| 3902 | + la=l | |
| 3903 | + endif | |
| 3904 | + u=m-k | |
| 3905 | + if(u.le.mmax) then | |
| 3906 | + ik=(-1)**k | |
| 3907 | + c2=ik*c | |
| 3908 | + do p=1,2 | |
| 3909 | + do q=1,2 | |
| 3910 | + a(p,q)=c2*(amn0(ma,na,p,1)*conjg(amn0(ka,la,q,1)) & | |
| 3911 | + +amn0(ma,na,p,2)*conjg(amn0(ka,la,q,2))) | |
| 3912 | + enddo | |
| 3913 | + enddo | |
| 3914 | + w1=max(abs(n-l),abs(u)) | |
| 3915 | + w2=min(n+l,nodrg) | |
| 3916 | + call vcfunc(-k,l,m,n,vc1) | |
| 3917 | + do w=w1,w2 | |
| 3918 | + uw=(w*(w+1))/2+u | |
| 3919 | + do p=1,2 | |
| 3920 | + if(mod(n+l+w,2).eq.0) then | |
| 3921 | + q=p | |
| 3922 | + else | |
| 3923 | + q=3-p | |
| 3924 | + endif | |
| 3925 | + gmn(uw)=gmn(uw)-vc1(w)*vc2(w)*a(p,q) | |
| 3926 | + enddo | |
| 3927 | + enddo | |
| 3928 | + endif | |
| 3929 | + enddo | |
| 3930 | + enddo | |
| 3931 | + enddo | |
| 3932 | + enddo | |
| 3933 | + g0=dble(gmn(0)) | |
| 3934 | + gmn(0)=1.d0 | |
| 3935 | + do w=1,nodrg | |
| 3936 | + ww1=(w*(w+1))/2 | |
| 3937 | + gmn(ww1)=dcmplx(dble(gmn(ww1)),0.d0)/g0 | |
| 3938 | + do u=1,min(mmax,w) | |
| 3939 | + uw=ww1+u | |
| 3940 | + gmn(uw)=(-1)**u*2.d0*gmn(uw)/g0 | |
| 3941 | + enddo | |
| 3942 | + enddo | |
| 3943 | + end subroutine s11expansion | |
| 3944 | +! | |
| 3945 | +! calculate azimuth--averaged scattering matrix from expansion, for cos(theta) = ct | |
| 3946 | +! | |
| 3947 | +! | |
| 3948 | +! original: 15 January 2011 | |
| 3949 | +! revised: 21 February 2011: changed normalization on S11 | |
| 3950 | +! | |
| 3951 | + subroutine fosmcalc(ntot,s00,s02,sp22,sm22,ct,sm) | |
| 3952 | + use numconstants | |
| 3953 | + use specialfuncs | |
| 3954 | + integer :: ntot,w,i,j,ww1 | |
| 3955 | + real(8) :: s00(4,4,0:ntot*2),s02(4,4,0:ntot*2),sp22(4,4,0:ntot*2),sm22(4,4,0:ntot*2), & | |
| 3956 | + sm(4,4),dc(-2:2,0:2*ntot*(2*ntot+2)),ct | |
| 3957 | + call rotcoef(ct,2,2*ntot,dc) | |
| 3958 | + sm=0.d0 | |
| 3959 | + do w=0,2*ntot | |
| 3960 | + ww1=w*(w+1) | |
| 3961 | + sm(:,:)=sm(:,:)+s00(:,:,w)*dc(0,ww1)+s02(:,:,w)*dc(0,ww1+2) & | |
| 3962 | + +sp22(:,:,w)*dc(2,ww1+2)+sm22(:,:,w)*dc(-2,ww1+2) | |
| 3963 | + enddo | |
| 3964 | + sm=sm/s00(1,1,0) | |
| 3965 | +! do i=1,4 | |
| 3966 | +! do j=1,4 | |
| 3967 | +! if(i.ne.1.or.j.ne.1) then | |
| 3968 | +! sm(i,j)=sm(i,j)/sm(1,1) | |
| 3969 | +! endif | |
| 3970 | +! enddo | |
| 3971 | +! enddo | |
| 3972 | + end subroutine fosmcalc | |
| 3973 | +! | |
| 3974 | +! determine the generalized spherical function expansion for the azimuth-averaged scattering matrix | |
| 3975 | +! corresponding to the target-based scattering field expansion of amnp. | |
| 3976 | +! | |
| 3977 | +! | |
| 3978 | +! original: 15 January 2011 | |
| 3979 | +! revised: 21 February 2011: fixed flush call. | |
| 3980 | +! | |
| 3981 | + subroutine fosmexpansion(ntot,amnp,s00,s02,sp22,sm22) | |
| 3982 | + use mpidefs | |
| 3983 | + use mpidata | |
| 3984 | + use specialfuncs | |
| 3985 | + use numconstants | |
| 3986 | + use spheredata | |
| 3987 | + integer :: ntot,n,p,m,l,wmin,wmax,m1m,q,m1mq,m1mnpl,w,m1w,fe,fo,i,j,wtot | |
| 3988 | + integer :: rank,numprocs,nl,nsend,runprintunit | |
| 3989 | + integer, allocatable :: nlindex(:),nlnum(:) | |
| 3990 | + real(8) :: s00(4,4,0:ntot*2),s02(4,4,0:ntot*2),sp22(4,4,0:ntot*2),sm22(4,4,0:ntot*2), & | |
| 3991 | + cm1p1(0:ntot*2),cm1m1(0:ntot*2),cmmpm(0:ntot*2),cmmm2pm(0:ntot*2), & | |
| 3992 | + cmmp2pm(0:ntot*2),sum,nlperproc | |
| 3993 | + complex(8) :: amnp(0:ntot+1,ntot,2,2),a1(-ntot-2:ntot+2,ntot,2),a2(-ntot-2:ntot+2,ntot,2), & | |
| 3994 | + ci,fnl,a1122,a2112,a1p2,a1m2 | |
| 3995 | + data ci/(0.d0,1.d0)/ | |
| 3996 | + call init(2*ntot) | |
| 3997 | + call getrunparameters(run_print_unit=runprintunit) | |
| 3998 | + call ms_mpi(mpi_command='rank',mpi_rank=rank) | |
| 3999 | + call ms_mpi(mpi_command='size',mpi_size=numprocs) | |
| 4000 | + allocate(nlindex(0:numprocs-1),nlnum(0:numprocs-1)) | |
| 4001 | + nlperproc=dble(ntot*ntot)/dble(numprocs) | |
| 4002 | + sum=0. | |
| 4003 | + do i=0,numprocs-1 | |
| 4004 | + nlindex(i)=floor(sum) | |
| 4005 | + sum=sum+nlperproc | |
| 4006 | + enddo | |
| 4007 | + do i=0,numprocs-2 | |
| 4008 | + nlnum(i)=nlindex(i+1)-nlindex(i) | |
| 4009 | + enddo | |
| 4010 | + nlnum(numprocs-1)=ntot*ntot-nlindex(numprocs-1) | |
| 4011 | + if(rank.eq.0) then | |
| 4012 | + write(runprintunit,'('' SM calc, orders per processor:'',f10.4)') nlperproc | |
| 4013 | + call flush(runprintunit) | |
| 4014 | + endif | |
| 4015 | + a1=(0.d0,0.d0) | |
| 4016 | + a2=(0.d0,0.d0) | |
| 4017 | + s00=0.d0 | |
| 4018 | + s02=0.d0 | |
| 4019 | + sp22=0.d0 | |
| 4020 | + sm22=0.d0 | |
| 4021 | + wtot=ntot+ntot | |
| 4022 | + do n=1,ntot | |
| 4023 | + do p=1,2 | |
| 4024 | + do m=-n,-1 | |
| 4025 | + a1(m,n,p)=amnp(n+1,-m,p,1) | |
| 4026 | + a2(m,n,p)=amnp(n+1,-m,p,2) | |
| 4027 | + enddo | |
| 4028 | + do m=0,n | |
| 4029 | + a1(m,n,p)=amnp(m,n,p,1) | |
| 4030 | + a2(m,n,p)=amnp(m,n,p,2) | |
| 4031 | + enddo | |
| 4032 | + enddo | |
| 4033 | + enddo | |
| 4034 | + do nl=nlindex(rank)+1,nlindex(rank)+nlnum(rank) | |
| 4035 | + n=floor((nl-1)/dble(ntot))+1 | |
| 4036 | + l=mod(nl-1,ntot)+1 | |
| 4037 | + wmin=abs(n-l) | |
| 4038 | + wmax=n+l | |
| 4039 | + fnl=sqrt(dble((n+n+1)*(l+l+1)))*ci**(l-n) | |
| 4040 | + call vcfunc(-1,n,1,l,cm1p1) | |
| 4041 | + call vcfunc(-1,n,-1,l,cm1m1) | |
| 4042 | + do m=-min(n,l+2),min(n,l+2) | |
| 4043 | + m1m=(-1)**m | |
| 4044 | + if(abs(m).le.l) then | |
| 4045 | + call vcfunc(-m,n,m,l,cmmpm) | |
| 4046 | + else | |
| 4047 | + cmmpm=0.d0 | |
| 4048 | + endif | |
| 4049 | + if(abs(-2+m).le.l) then | |
| 4050 | + call vcfunc(-m,n,-2+m,l,cmmm2pm) | |
| 4051 | + else | |
| 4052 | + cmmm2pm=0.d0 | |
| 4053 | + endif | |
| 4054 | + if(abs(2+m).le.l) then | |
| 4055 | + call vcfunc(-m,n,2+m,l,cmmp2pm) | |
| 4056 | + else | |
| 4057 | + cmmp2pm=0.d0 | |
| 4058 | + endif | |
| 4059 | + do p=1,2 | |
| 4060 | + do q=1,2 | |
| 4061 | + m1mq=(-1)**(m+q) | |
| 4062 | + m1mnpl=(-1)**(m+n+p+l) | |
| 4063 | + a1122=(a1(m,n,p)*conjg(a1(m,l,q)) + a2(m,n,p)*conjg(a2(m,l,q))) | |
| 4064 | + a2112=(a2(m,n,p)*conjg(a1(m,l,q)) - a1(m,n,p)*conjg(a2(m,l,q))) | |
| 4065 | + a1p2=(a1(m,n,p)+ci*a2(m,n,p))*conjg(a1(m-2,l,q)-ci*a2(m-2,l,q)) | |
| 4066 | + a1m2=(a1(m,n,p)-ci*a2(m,n,p))*conjg(a1(m+2,l,q)+ci*a2(m+2,l,q)) | |
| 4067 | + do w=wmin,wmax | |
| 4068 | + m1w=(-1)**w | |
| 4069 | + if(mod(n+l+w+p+q,2).eq.0) then | |
| 4070 | + fe=1 | |
| 4071 | + fo=0 | |
| 4072 | + else | |
| 4073 | + fe=0 | |
| 4074 | + fo=1 | |
| 4075 | + endif | |
| 4076 | + s00(1,1,w) = s00(1,1,w)-(m1m*fe*fnl*a1122*cm1p1(w)*cmmpm(w))/2. | |
| 4077 | + s00(3,2,w) = s00(3,2,w)+ (ci/2.*m1m*fnl*fo*a1122*cm1p1(w)*cmmpm(w)) | |
| 4078 | + s00(4,2,w) = s00(4,2,w)+ dimag(-ci/2.*m1m*fnl*fo*a1122*cm1p1(w)*cmmpm(w)) | |
| 4079 | + s00(1,4,w) = s00(1,4,w)+ dimag(m1m*fe*fnl*(-a2112)*cm1p1(w)*cmmpm(w))/2. | |
| 4080 | + s00(2,3,w) = s00(2,3,w)+ (m1m*fe*fnl*(-a2112)*cm1p1(w)*cmmpm(w))/2. | |
| 4081 | + s00(4,3,w) = s00(4,3,w)+ dimag(ci/2.*m1m*fnl*fo*a2112*cm1p1(w)*cmmpm(w)) | |
| 4082 | + s00(4,4,w) = s00(4,4,w)+ (ci/2.*m1m*fnl*fo*a2112*cm1p1(w)*cmmpm(w)) | |
| 4083 | + | |
| 4084 | + if(w.lt.2) cycle | |
| 4085 | + | |
| 4086 | + s02(2,1,w) = s02(2,1,w)-(m1mq*a1122*fe*fnl*cm1m1(w)*cmmpm(w))/2. | |
| 4087 | + s02(3,1,w) = s02(3,1,w)+ (-ci/2.*m1mq*a1122*fnl*fo*cm1m1(w)*cmmpm(w)) | |
| 4088 | + s02(4,1,w) = s02(4,1,w)+ dimag(ci/2.*m1mq*a1122*fnl*fo*cm1m1(w)*cmmpm(w)) | |
| 4089 | + s02(1,3,w) = s02(1,3,w)-(m1mq*a2112*fe*fnl*cm1m1(w)*cmmpm(w))/2. | |
| 4090 | + s02(2,4,w) = s02(2,4,w)-dimag(m1mq*a2112*fe*fnl*cm1m1(w)*cmmpm(w))/2. | |
| 4091 | + s02(3,3,w) = s02(3,3,w)+ (ci/2.*m1mq*a2112*fnl*fo*cm1m1(w)*cmmpm(w)) | |
| 4092 | + s02(3,4,w) = s02(3,4,w)+ dimag(-ci/2.*m1mq*a2112*fnl*fo*cm1m1(w)*cmmpm(w)) | |
| 4093 | + | |
| 4094 | + s02(1,2,w) = s02(1,2,w)-(m1m*a1p2*fe*fnl*cm1p1(w)*cmmm2pm(w))/4. | |
| 4095 | + s02(1,3,w) = s02(1,3,w)+ (-ci/4.*m1m*a1p2*fe*fnl*cm1p1(w)*cmmm2pm(w)) | |
| 4096 | + s02(2,4,w) = s02(2,4,w)+ dimag(-ci/4.*m1m*a1p2*fe*fnl*cm1p1(w)*cmmm2pm(w)) | |
| 4097 | + s02(3,1,w) = s02(3,1,w)+ (ci/4.*m1m*a1p2*fnl*fo*cm1p1(w)*cmmm2pm(w)) | |
| 4098 | + s02(4,1,w) = s02(4,1,w)+ dimag(-ci/4.*m1m*a1p2*fnl*fo*cm1p1(w)*cmmm2pm(w)) | |
| 4099 | + s02(4,3,w) = s02(4,3,w)+ dimag(m1m*a1p2*fnl*fo*cm1p1(w)*cmmm2pm(w))/4. | |
| 4100 | + s02(4,4,w) = s02(4,4,w)+ (m1m*a1p2*fnl*fo*cm1p1(w)*cmmm2pm(w))/4. | |
| 4101 | + | |
| 4102 | + sm22(1,4,w) = sm22(1,4,w)+ dimag(-ci/8.*m1mnpl*m1w*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4103 | + sm22(2,2,w) = sm22(2,2,w)-(m1mnpl*m1w*a1p2*fnl*cm1m1(w)*cmmm2pm(w))/8. | |
| 4104 | + sm22(2,3,w) = sm22(2,3,w)+ (-ci/8.*m1mnpl*m1w*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4105 | + sm22(3,2,w) = sm22(3,2,w)+ (ci/8.*m1mnpl*m1w*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4106 | + sm22(3,3,w) = sm22(3,3,w)-(m1mnpl*m1w*a1p2*fnl*cm1m1(w)*cmmm2pm(w))/8. | |
| 4107 | + sm22(3,4,w) = sm22(3,4,w)+ dimag(m1mnpl*m1w*a1p2*fnl*cm1m1(w)*cmmm2pm(w))/8. | |
| 4108 | + sm22(4,2,w) = sm22(4,2,w)+ dimag(-ci/8.*m1mnpl*m1w*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4109 | + | |
| 4110 | + sp22(1,4,w) = sp22(1,4,w)+ dimag(-ci/8.*m1mq*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4111 | + sp22(2,2,w) = sp22(2,2,w)-(m1mq*a1p2*fnl*cm1m1(w)*cmmm2pm(w))/8. | |
| 4112 | + sp22(2,3,w) = sp22(2,3,w)+ (-ci/8.*m1mq*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4113 | + sp22(3,2,w) = sp22(3,2,w)+ (-ci/8.*m1mq*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4114 | + sp22(3,3,w) = sp22(3,3,w)+ (m1mq*a1p2*fnl*cm1m1(w)*cmmm2pm(w))/8. | |
| 4115 | + sp22(3,4,w) = sp22(3,4,w)-dimag(m1mq*a1p2*fnl*cm1m1(w)*cmmm2pm(w))/8. | |
| 4116 | + sp22(4,2,w) = sp22(4,2,w)+ dimag(ci/8.*m1mq*a1p2*fnl*cm1m1(w)*cmmm2pm(w)) | |
| 4117 | + | |
| 4118 | + s02(1,2,w) = s02(1,2,w)-(m1m*a1m2*fe*fnl*cm1p1(w)*cmmp2pm(w))/4. | |
| 4119 | + s02(1,3,w) = s02(1,3,w)+ (ci/4.*m1m*a1m2*fe*fnl*cm1p1(w)*cmmp2pm(w)) | |
| 4120 | + s02(2,4,w) = s02(2,4,w)+ dimag(ci/4.*m1m*a1m2*fe*fnl*cm1p1(w)*cmmp2pm(w)) | |
| 4121 | + s02(3,1,w) = s02(3,1,w)+ (ci/4.*m1m*a1m2*fnl*fo*cm1p1(w)*cmmp2pm(w)) | |
| 4122 | + s02(4,1,w) = s02(4,1,w)+ dimag(-ci/4.*m1m*a1m2*fnl*fo*cm1p1(w)*cmmp2pm(w)) | |
| 4123 | + s02(4,3,w) = s02(4,3,w)-dimag(m1m*a1m2*fnl*fo*cm1p1(w)*cmmp2pm(w))/4. | |
| 4124 | + s02(4,4,w) = s02(4,4,w)-(m1m*a1m2*fnl*fo*cm1p1(w)*cmmp2pm(w))/4. | |
| 4125 | + | |
| 4126 | + sm22(1,4,w) = sm22(1,4,w)+ dimag(ci/8.*m1mq*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4127 | + sm22(2,2,w) = sm22(2,2,w)-(m1mq*a1m2*fnl*cm1m1(w)*cmmp2pm(w))/8. | |
| 4128 | + sm22(2,3,w) = sm22(2,3,w)+ (ci/8.*m1mq*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4129 | + sm22(3,2,w) = sm22(3,2,w)+ (-ci/8.*m1mq*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4130 | + sm22(3,3,w) = sm22(3,3,w)-(m1mq*a1m2*fnl*cm1m1(w)*cmmp2pm(w))/8. | |
| 4131 | + sm22(3,4,w) = sm22(3,4,w)+ dimag(m1mq*a1m2*fnl*cm1m1(w)*cmmp2pm(w))/8. | |
| 4132 | + sm22(4,2,w) = sm22(4,2,w)+ dimag(ci/8.*m1mq*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4133 | + | |
| 4134 | + sp22(1,4,w) = sp22(1,4,w)+ dimag(ci/8.*m1mnpl*m1w*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4135 | + sp22(2,2,w) = sp22(2,2,w)-(m1mnpl*m1w*a1m2*fnl*cm1m1(w)*cmmp2pm(w))/8. | |
| 4136 | + sp22(2,3,w) = sp22(2,3,w)+ (ci/8.*m1mnpl*m1w*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4137 | + sp22(3,2,w) = sp22(3,2,w)+ (ci/8.*m1mnpl*m1w*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4138 | + sp22(3,3,w) = sp22(3,3,w)+ (m1mnpl*m1w*a1m2*fnl*cm1m1(w)*cmmp2pm(w))/8. | |
| 4139 | + sp22(3,4,w) = sp22(3,4,w)-dimag(m1mnpl*m1w*a1m2*fnl*cm1m1(w)*cmmp2pm(w))/8. | |
| 4140 | + sp22(4,2,w) = sp22(4,2,w)+ dimag(-ci/8.*m1mnpl*m1w*a1m2*fnl*cm1m1(w)*cmmp2pm(w)) | |
| 4141 | + enddo | |
| 4142 | + enddo | |
| 4143 | + enddo | |
| 4144 | + enddo | |
| 4145 | + enddo | |
| 4146 | + call ms_mpi(mpi_command='barrier') | |
| 4147 | + nsend=4*4*(2*ntot+1) | |
| 4148 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dp=s00,& | |
| 4149 | + mpi_number=nsend,mpi_operation=ms_mpi_sum) | |
| 4150 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dp=s02,& | |
| 4151 | + mpi_number=nsend,mpi_operation=ms_mpi_sum) | |
| 4152 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dp=sp22,& | |
| 4153 | + mpi_number=nsend,mpi_operation=ms_mpi_sum) | |
| 4154 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dp=sm22,& | |
| 4155 | + mpi_number=nsend,mpi_operation=ms_mpi_sum) | |
| 4156 | +! | |
| 4157 | +! a patch | |
| 4158 | +! | |
| 4159 | + do i=3,4 | |
| 4160 | + do j=1,i | |
| 4161 | + s00(j,i,0:wtot)=-s00(j,i,0:wtot) | |
| 4162 | + s02(j,i,0:wtot)=-s02(j,i,0:wtot) | |
| 4163 | + sm22(j,i,0:wtot)=-sm22(j,i,0:wtot) | |
| 4164 | + sp22(j,i,0:wtot)=-sp22(j,i,0:wtot) | |
| 4165 | + enddo | |
| 4166 | + enddo | |
| 4167 | + deallocate(nlindex,nlnum) | |
| 4168 | + end subroutine fosmexpansion | |
| 4169 | +! | |
| 4170 | +! compute the coefficients for the GSF expansion of the random orientation | |
| 4171 | +! scattering matrix. | |
| 4172 | +! | |
| 4173 | +! | |
| 4174 | +! original: 15 January 2011 | |
| 4175 | +! revised: 21 February 2011: changed normalization on S11 | |
| 4176 | +! | |
| 4177 | + subroutine ranorientscatmatrix(xv,nsphere,nodr,nodrw,cbeam,tmatrixfile,& | |
| 4178 | + sm,qext,qabs,qsca) | |
| 4179 | + use mpidefs | |
| 4180 | + use mpidata | |
| 4181 | + use intrinsics | |
| 4182 | + use specialfuncs | |
| 4183 | + use spheredata | |
| 4184 | + use numconstants | |
| 4185 | + implicit none | |
| 4186 | + integer :: nodr,nodrw,nodr2,m,n,p,k,l,q,s,t,v,u,w,nblk,kl,mn,nn1,tn, & | |
| 4187 | + lmax,ll1,tvl,ku,k1,ns,ik,ik1,m1,nu,n1s,n1e,nu1,p1,n1max, & | |
| 4188 | + in,n1,i,lt,kt,qt,nt,mt,ikm,klm,mnm,nodrt,nsphere, & | |
| 4189 | + rank,iunit,numprocs | |
| 4190 | + real(8) :: sm(4,4,0:nodrw),fl,vc(0:4*nodr+2),xv,fl2,fc1,fc2,fc3,fc4, & | |
| 4191 | + cbeam,gbn,qext(nsphere),qabs(nsphere),qsca(nsphere),qel, & | |
| 4192 | + qal,qsl,fc(4),time1,time2,qsca0 | |
| 4193 | + complex(8) :: ci,cin,a | |
| 4194 | + complex(8) :: aw(0:2,-1:1,0:nodrw),bw(0:2,-1:1,0:nodrw),cw(0:nodrw), & | |
| 4195 | + dw(0:nodrw),pp(nodr,2,2), & | |
| 4196 | + bm(2,nodr*(nodr+2),2),am(2,nodr+1,2),fm(3,nodr,2,nodr,2) | |
| 4197 | + complex(8), allocatable :: dm(:,:,:,:,:,:) | |
| 4198 | + complex(4), allocatable :: tc(:,:,:,:) | |
| 4199 | + integer :: nblkw,wv,sizedm,ierr,sizetm,nsend | |
| 4200 | + integer, allocatable :: windex(:),vindex(:),wvindex(:),wvnum(:) | |
| 4201 | + real(8) :: wvperproc,sum | |
| 4202 | + character*30 :: tmatrixfile | |
| 4203 | + data ci/(0.d0,1.d0)/ | |
| 4204 | + call ms_mpi(mpi_command='rank',mpi_rank=rank) | |
| 4205 | + call ms_mpi(mpi_command='size',mpi_size=numprocs) | |
| 4206 | + call getrunparameters(run_print_unit=iunit) | |
| 4207 | + if(rank.eq.0) time1=mytime() | |
| 4208 | +! | |
| 4209 | +! read the T matrix from the file | |
| 4210 | +! | |
| 4211 | + if(rank.eq.0) then | |
| 4212 | + open(3,file=tmatrixfile) | |
| 4213 | + read(3,*) nodrt | |
| 4214 | + endif | |
| 4215 | + nodrt=nodr | |
| 4216 | + nblk=nodr*(nodr+2) | |
| 4217 | + sizetm=4*nblk*nblk | |
| 4218 | + allocate(tc(2,nblk,2,nblk)) | |
| 4219 | + tc=(0.,0.) | |
| 4220 | + if(rank.eq.0) then | |
| 4221 | + qext=0.d0 | |
| 4222 | + qabs=0.d0 | |
| 4223 | + qsca=0.d0 | |
| 4224 | + do l=1,nodr | |
| 4225 | + gbn=dexp(-((dble(l)+.5d0)*cbeam)**2.) | |
| 4226 | + do k=-l,l | |
| 4227 | + kl=l*(l+1)+k | |
| 4228 | + klm=l*(l+1)-k | |
| 4229 | + do q=1,2 | |
| 4230 | + read(3,*) lt,kt,qt | |
| 4231 | + do n=1,l | |
| 4232 | + do m=-n,n | |
| 4233 | + mn=n*(n+1)+m | |
| 4234 | + mnm=n*(n+1)-m | |
| 4235 | + read(3,*) nt,mt,fc | |
| 4236 | + tc(1,mn,q,kl)=cmplx(fc(1),fc(2)) | |
| 4237 | + tc(2,mn,q,kl)=cmplx(fc(3),fc(4)) | |
| 4238 | + if(n.lt.l) then | |
| 4239 | + ikm=(-1)**(m+k) | |
| 4240 | + do p=1,2 | |
| 4241 | + tc(q,klm,p,mnm)=tc(p,mn,q,kl)*ikm | |
| 4242 | + enddo | |
| 4243 | + endif | |
| 4244 | + enddo | |
| 4245 | + enddo | |
| 4246 | + enddo | |
| 4247 | + enddo | |
| 4248 | + do i=1,nsphere | |
| 4249 | + read(3,*) n,qel,qal,qsl | |
| 4250 | + qext(i)=qext(i)+qel*gbn*gbn | |
| 4251 | + qabs(i)=qabs(i)+qal*gbn*gbn | |
| 4252 | + qsca(i)=qsca(i)+qsl*gbn*gbn | |
| 4253 | + enddo | |
| 4254 | + enddo | |
| 4255 | + close(3) | |
| 4256 | + endif | |
| 4257 | +! | |
| 4258 | +! send to the other processors | |
| 4259 | +! | |
| 4260 | + if(numprocs.gt.1) then | |
| 4261 | + call ms_mpi(mpi_command='barrier') | |
| 4262 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qext,mpi_number=nsphere,mpi_rank=0) | |
| 4263 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qabs,mpi_number=nsphere,mpi_rank=0) | |
| 4264 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qsca,mpi_number=nsphere,mpi_rank=0) | |
| 4265 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_c=tc,mpi_number=sizetm,mpi_rank=0) | |
| 4266 | + endif | |
| 4267 | + allocate(dm(-nodr-1:nodr+1,3,nodr,2,nodr,2)) | |
| 4268 | + if(rank.eq.0) then | |
| 4269 | + time2=mytime()-time1 | |
| 4270 | + call timewrite(iunit,' t matrix read time:',time2) | |
| 4271 | + time1=mytime() | |
| 4272 | + endif | |
| 4273 | + nodr2=nodr+nodr | |
| 4274 | + nblk=nodr*(nodr+2) | |
| 4275 | + dm=(0.d0,0.d0) | |
| 4276 | + sizedm=size(dm) | |
| 4277 | + call init(nodr2) | |
| 4278 | +! | |
| 4279 | +! compute the GB modified T matrix | |
| 4280 | +! | |
| 4281 | + do n=1,nodr | |
| 4282 | + gbn=dexp(-((dble(n)+.5d0)*cbeam)**2.) | |
| 4283 | + cin=ci**(n+1) | |
| 4284 | + pp(n,1,1) =-.5d0*cin*fnr(n+n+1)*gbn | |
| 4285 | + pp(n,2,1) =-pp(n,1,1) | |
| 4286 | + pp(n,1,2)=-pp(n,1,1) | |
| 4287 | + pp(n,2,2)=pp(n,2,1) | |
| 4288 | + enddo | |
| 4289 | + do n=1,nodr | |
| 4290 | + nn1=n*(n+1) | |
| 4291 | + do m=-n,n | |
| 4292 | + mn=nn1+m | |
| 4293 | + do p=1,2 | |
| 4294 | + do l=1,nodr | |
| 4295 | + do k=-l,l | |
| 4296 | + kl=l*(l+1)+k | |
| 4297 | + a=tc(p,mn,1,kl) | |
| 4298 | + tc(p,mn,1,kl)=tc(p,mn,1,kl)*pp(l,1,1)& | |
| 4299 | + +tc(p,mn,2,kl)*pp(l,1,2) | |
| 4300 | + tc(p,mn,2,kl)=a*pp(l,2,1)+tc(p,mn,2,kl)*pp(l,2,2) | |
| 4301 | + enddo | |
| 4302 | + enddo | |
| 4303 | + enddo | |
| 4304 | + enddo | |
| 4305 | + enddo | |
| 4306 | +! | |
| 4307 | +! determine the distribution of work load among the processors | |
| 4308 | +! | |
| 4309 | + nblkw=nodr2*(nodr2+2)+1 | |
| 4310 | + allocate(windex(nblkw),vindex(nblkw),wvindex(0:numprocs-1),wvnum(0:numprocs-1)) | |
| 4311 | + w=0 | |
| 4312 | + do n=0,nodr2 | |
| 4313 | + do m=-n,n | |
| 4314 | + w=w+1 | |
| 4315 | + windex(w)=n | |
| 4316 | + vindex(w)=m | |
| 4317 | + enddo | |
| 4318 | + enddo | |
| 4319 | + wvperproc=dble(nblkw)/dble(numprocs) | |
| 4320 | + sum=0. | |
| 4321 | + do i=0,numprocs-1 | |
| 4322 | + wvindex(i)=floor(sum) | |
| 4323 | + sum=sum+wvperproc | |
| 4324 | + enddo | |
| 4325 | + do i=0,numprocs-2 | |
| 4326 | + wvnum(i)=wvindex(i+1)-wvindex(i) | |
| 4327 | + enddo | |
| 4328 | + wvnum(numprocs-1)=nblkw-wvindex(numprocs-1) | |
| 4329 | + if(rank.eq.0) then | |
| 4330 | + write(iunit,'('' d matrix calculation, order+degree per proc.:'',f9.2)') & | |
| 4331 | + wvperproc | |
| 4332 | + call flush(iunit) | |
| 4333 | + endif | |
| 4334 | +! | |
| 4335 | +! the big loop | |
| 4336 | +! | |
| 4337 | + do wv=wvindex(rank)+1,wvindex(rank)+wvnum(rank) | |
| 4338 | + w=windex(wv) | |
| 4339 | + v=vindex(wv) | |
| 4340 | + bm=(0.d0,0.d0) | |
| 4341 | + do n=1,nodr | |
| 4342 | + nn1=n*(n+1) | |
| 4343 | + do l=max(1,abs(w-n)),min(nodr,w+n) | |
| 4344 | + am(1,l,1)=0.d0 | |
| 4345 | + am(1,l,2)=0.d0 | |
| 4346 | + am(2,l,1)=0.d0 | |
| 4347 | + am(2,l,2)=0.d0 | |
| 4348 | + enddo | |
| 4349 | + do t=-n,n | |
| 4350 | + tn=nn1+t | |
| 4351 | + lmax=min(nodr,w+n) | |
| 4352 | + call vcfunc(v,w,-t,n,vc) | |
| 4353 | + do l=max(1,abs(v-t),abs(n-w)),lmax | |
| 4354 | + ll1=l*(l+1) | |
| 4355 | + tvl=ll1+t-v | |
| 4356 | + do k=1,2 | |
| 4357 | + do p=1,2 | |
| 4358 | + am(k,l,p)=am(k,l,p)+vc(l)*tc(p,tn,k,tvl) | |
| 4359 | + enddo | |
| 4360 | + enddo | |
| 4361 | + enddo | |
| 4362 | + enddo | |
| 4363 | + do m=-n,n | |
| 4364 | + mn=nn1+m | |
| 4365 | + do k=1,2 | |
| 4366 | + u=m-(-3+2*k) | |
| 4367 | + if(abs(u).le.w) then | |
| 4368 | + lmax=min(nodr,w+n) | |
| 4369 | + call vcfunc(-u,w,m,n,vc) | |
| 4370 | + do l=max(1,abs(w-n)),lmax | |
| 4371 | + fl=-(-1)**l*vc(l)/dble(l+l+1) | |
| 4372 | + do p=1,2 | |
| 4373 | + bm(k,mn,p)=bm(k,mn,p)+am(k,l,p)*fl | |
| 4374 | + enddo | |
| 4375 | + enddo | |
| 4376 | + endif | |
| 4377 | + enddo | |
| 4378 | + enddo | |
| 4379 | + enddo | |
| 4380 | + do u=-min(w,nodr+1),min(w,nodr+1) | |
| 4381 | + do ku=1,3 | |
| 4382 | + if(ku.eq.1) then | |
| 4383 | + k=-1 | |
| 4384 | + k1=-1 | |
| 4385 | + elseif(ku.eq.2) then | |
| 4386 | + k=1 | |
| 4387 | + k1=1 | |
| 4388 | + else | |
| 4389 | + k=1 | |
| 4390 | + k1=-1 | |
| 4391 | + endif | |
| 4392 | + m=u+k | |
| 4393 | + ns=max(1,abs(m)) | |
| 4394 | + ik=(k+1)/2+1 | |
| 4395 | + ik1=(k1+1)/2+1 | |
| 4396 | + m1=u+k1 | |
| 4397 | + do n=ns,nodr | |
| 4398 | + nu=n*(n+1)+m | |
| 4399 | + n1s=max(1,abs(m1),n-nodrw) | |
| 4400 | + n1e=min(nodr,n+nodrw) | |
| 4401 | + do n1=n1s,n1e | |
| 4402 | + cin=ci**(n-n1) | |
| 4403 | + nu1=n1*(n1+1)+m1 | |
| 4404 | + fl=-fnr(n+n+1)*fnr(n1+n1+1)*dble(w+w+1) | |
| 4405 | + do p=1,2 | |
| 4406 | + do p1=1,2 | |
| 4407 | + a=bm(ik,nu,p)*cin*fl*conjg(bm(ik1,nu1,p1)) | |
| 4408 | + dm(u,ku,n,p,n1,p1)=dm(u,ku,n,p,n1,p1)+a | |
| 4409 | + enddo | |
| 4410 | + enddo | |
| 4411 | + enddo | |
| 4412 | + enddo | |
| 4413 | + enddo | |
| 4414 | + enddo | |
| 4415 | + enddo | |
| 4416 | + deallocate(tc) | |
| 4417 | + call ms_mpi(mpi_command='barrier') | |
| 4418 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dc=dm,& | |
| 4419 | + mpi_number=sizedm,mpi_operation=ms_mpi_sum) | |
| 4420 | + if(rank.eq.0) then | |
| 4421 | + time2=mytime()-time1 | |
| 4422 | + call timewrite(iunit,' d matrix time:',time2) | |
| 4423 | + time1=mytime() | |
| 4424 | + endif | |
| 4425 | +! | |
| 4426 | +! compute the expansion coefficients | |
| 4427 | +! | |
| 4428 | + aw=0.d0 | |
| 4429 | + bw=0.d0 | |
| 4430 | + cw=0.d0 | |
| 4431 | + dw=0.d0 | |
| 4432 | + do w=0,nodrw | |
| 4433 | + do n=1,nodr | |
| 4434 | + n1s=max(1,abs(n-w)) | |
| 4435 | + n1e=min(nodr,n+w) | |
| 4436 | + do n1=n1s,n1e | |
| 4437 | + do k=1,3 | |
| 4438 | + do p=1,2 | |
| 4439 | + do p1=1,2 | |
| 4440 | + fm(k,n,p,n1,p1)=0. | |
| 4441 | + enddo | |
| 4442 | + enddo | |
| 4443 | + enddo | |
| 4444 | + enddo | |
| 4445 | + enddo | |
| 4446 | + do u=-nodr-1,nodr+1 | |
| 4447 | + do k=-1,1,2 | |
| 4448 | + m=u+k | |
| 4449 | + ik=(k+1)/2+1 | |
| 4450 | + ns=max(1,abs(m)) | |
| 4451 | + do n=ns,nodr | |
| 4452 | + n1max=min(w+n,nodr) | |
| 4453 | + call vcfunc(m,n,0,w,vc) | |
| 4454 | + do n1=ns,nodr | |
| 4455 | + if((n+n1.lt.w).or.(abs(n-n1).gt.w)) cycle | |
| 4456 | + fl=-(-1)**n*vc(n1)*fnr(w+w+1)/fnr(n1+n1+1) | |
| 4457 | + do p=1,2 | |
| 4458 | + do p1=1,2 | |
| 4459 | + fm(ik,n,p,n1,p1)=fm(ik,n,p,n1,p1)+dm(u,ik,n,p,n1,p1)*fl | |
| 4460 | + enddo | |
| 4461 | + enddo | |
| 4462 | + enddo | |
| 4463 | + enddo | |
| 4464 | + enddo | |
| 4465 | + if(w.lt.2) cycle | |
| 4466 | + m=u+1 | |
| 4467 | + m1=u-1 | |
| 4468 | + ns=max(1,abs(m)) | |
| 4469 | + n1s=max(1,abs(m1)) | |
| 4470 | + do n=ns,nodr | |
| 4471 | + n1max=min(w+n,nodr) | |
| 4472 | + call vcfunc(m,n,-2,w,vc) | |
| 4473 | + do n1=n1s,nodr | |
| 4474 | + if((n+n1.lt.w).or.(abs(n-n1).gt.w)) cycle | |
| 4475 | + fl=-(-1)**n*vc(n1)*fnr(w+w+1)/fnr(n1+n1+1) | |
| 4476 | + do p=1,2 | |
| 4477 | + do p1=1,2 | |
| 4478 | + fm(3,n,p,n1,p1)=fm(3,n,p,n1,p1)+dm(u,3,n,p,n1,p1)*fl | |
| 4479 | + enddo | |
| 4480 | + enddo | |
| 4481 | + enddo | |
| 4482 | + enddo | |
| 4483 | + enddo | |
| 4484 | + do n=1,nodr | |
| 4485 | + n1s=max(1,abs(n-w)) | |
| 4486 | + n1e=min(nodr,n+w) | |
| 4487 | + in=(-1)**n | |
| 4488 | + n1max=min(w+n,nodr) | |
| 4489 | + call vcfunc(1,n,0,w,vc) | |
| 4490 | + do n1=n1s,n1e | |
| 4491 | + fl=2.d0*in*vc(n1)*fnr(w+w+1)/fnr(n1+n1+1) | |
| 4492 | + i=mod(n+n1-w,2)+1 | |
| 4493 | + do p=1,2 | |
| 4494 | + p1=(2-i)*p+(i-1)*(3-p) | |
| 4495 | + do k=-1,1,2 | |
| 4496 | + ik=(k+1)/2+1 | |
| 4497 | + aw(0,k,w)=aw(0,k,w)+fm(ik,n,p,n1,p1)*fl | |
| 4498 | + bw(0,k,w)=bw(0,k,w)+fm(ik,n,p,n1,3-p1)*fl | |
| 4499 | + enddo | |
| 4500 | + bw(2,0,w)=bw(2,0,w)+fm(3,n,p,n1,3-p1)*fl | |
| 4501 | + aw(2,0,w)=aw(2,0,w)+fm(3,n,p,n1,p1)*fl | |
| 4502 | + enddo | |
| 4503 | + enddo | |
| 4504 | + if(w.lt.2) cycle | |
| 4505 | + call vcfunc(1,n,-2,w,vc) | |
| 4506 | + do n1=n1s,n1e | |
| 4507 | + fl=2.d0*in*vc(n1)*fnr(w+w+1)/fnr(n1+n1+1) | |
| 4508 | + i=mod(n+n1-w,2)+1 | |
| 4509 | + do p=1,2 | |
| 4510 | + p1=(2-i)*p+(i-1)*(3-p) | |
| 4511 | + do k=-1,1,2 | |
| 4512 | + ik=(k+1)/2+1 | |
| 4513 | + aw(2,k,w)=aw(2,k,w)+fm(ik,n,p,n1,p1)*fl*(-1)**p1 | |
| 4514 | + bw(2,k,w)=bw(2,k,w)+fm(ik,n,p,n1,3-p1)*fl*(-1)**(3-p1) | |
| 4515 | + enddo | |
| 4516 | + enddo | |
| 4517 | + fl2=2.*(-1)**(n1+w)*vc(n1)*fnr(w+w+1)/fnr(n1+n1+1) | |
| 4518 | + do p=1,2 | |
| 4519 | + do p1=1,2 | |
| 4520 | + cw(w)=cw(w)+fm(3,n,p,n1,p1)*fl*(-1)**p1 | |
| 4521 | + dw(w)=dw(w)+fm(3,n,p,n1,p1)*fl2*(-1)**p | |
| 4522 | + enddo | |
| 4523 | + enddo | |
| 4524 | + enddo | |
| 4525 | + enddo | |
| 4526 | + enddo | |
| 4527 | + do w=0,nodrw | |
| 4528 | + do k=-1,1 | |
| 4529 | + do i=0,2 | |
| 4530 | + aw(i,k,w)=aw(i,k,w)*2./xv/xv | |
| 4531 | + bw(i,k,w)=bw(i,k,w)*2./xv/xv | |
| 4532 | + enddo | |
| 4533 | + enddo | |
| 4534 | + cw(w)=cw(w)*2./xv/xv | |
| 4535 | + dw(w)=dw(w)*2./xv/xv | |
| 4536 | + enddo | |
| 4537 | + do n=0,nodrw | |
| 4538 | + sm(1,1,n)=aw(0,-1,n)+aw(0,1,n) | |
| 4539 | + sm(1,2,n)=aw(2,-1,n)+aw(2,1,n) | |
| 4540 | + sm(1,3,n)=2.d0*dimag(aw(2,0,n)) | |
| 4541 | + sm(1,4,n)=aw(0,1,n)-aw(0,-1,n) | |
| 4542 | + sm(2,2,n)=dw(n) | |
| 4543 | + sm(2,3,n)=dimag(dw(n)) | |
| 4544 | + sm(2,4,n)=aw(2,1,n)-aw(2,-1,n) | |
| 4545 | + sm(3,2,n)=dimag(cw(n)) | |
| 4546 | + sm(3,3,n)=cw(n) | |
| 4547 | + sm(3,4,n)=dimag(bw(2,-1,n)-bw(2,1,n)) | |
| 4548 | + sm(4,4,n)=bw(0,1,n)-bw(0,-1,n) | |
| 4549 | + enddo | |
| 4550 | +! | |
| 4551 | +! normalization | |
| 4552 | +! | |
| 4553 | + qsca0=sm(1,1,0) | |
| 4554 | + do n=0,nodrw | |
| 4555 | + sm(1,1,n)=sm(1,1,n)/qsca0 | |
| 4556 | + sm(1,2,n)=sm(1,2,n)/qsca0 | |
| 4557 | + sm(1,3,n)=sm(1,3,n)/qsca0 | |
| 4558 | + sm(1,4,n)=sm(1,4,n)/qsca0 | |
| 4559 | + sm(2,2,n)=sm(2,2,n)/qsca0 | |
| 4560 | + sm(2,3,n)=sm(2,3,n)/qsca0 | |
| 4561 | + sm(2,4,n)=sm(2,4,n)/qsca0 | |
| 4562 | + sm(3,2,n)=sm(3,2,n)/qsca0 | |
| 4563 | + sm(3,3,n)=sm(3,3,n)/qsca0 | |
| 4564 | + sm(3,4,n)=sm(3,4,n)/qsca0 | |
| 4565 | + sm(4,4,n)=sm(4,4,n)/qsca0 | |
| 4566 | + enddo | |
| 4567 | + call ms_mpi(mpi_command='barrier') | |
| 4568 | + if(rank.eq.0) then | |
| 4569 | + time2=mytime()-time1 | |
| 4570 | + call timewrite(iunit,' scat matrix coef time:',time2) | |
| 4571 | + endif | |
| 4572 | + deallocate(windex,vindex,wvindex,wvnum,dm) | |
| 4573 | + end subroutine ranorientscatmatrix | |
| 4574 | +! | |
| 4575 | +! calculation of the RO scattering matrix from the GSF expansion | |
| 4576 | +! | |
| 4577 | +! | |
| 4578 | +! original: 15 January 2011 | |
| 4579 | +! revised: 21 February 2011: changed normalization on S11 | |
| 4580 | +! | |
| 4581 | + subroutine ranorienscatmatrixcalc(nt,tmin,tmax,iscale,smc,nodrexp,sm) | |
| 4582 | + use specialfuncs | |
| 4583 | + use numconstants | |
| 4584 | + implicit none | |
| 4585 | + integer :: nt,iscale,nodrexp,i,j,k,n,nn0,nnp2,nnm2 | |
| 4586 | + real(8) :: tmin,tmax,smc(4,4,0:nodrexp),sm(4,4,nt),dc(-2:2,0:nodrexp*(nodrexp+2)), & | |
| 4587 | + ct,th,qsca | |
| 4588 | + do i=1,nt | |
| 4589 | + if(nt.eq.1) then | |
| 4590 | + th=tmin | |
| 4591 | + else | |
| 4592 | + th=tmin+(tmax-tmin)*dble(i-1)/dble(nt-1) | |
| 4593 | + endif | |
| 4594 | + ct=cos(th*pi/180.d0) | |
| 4595 | +! | |
| 4596 | +! dc is the normalized generalized spherical function | |
| 4597 | +! dc(k,n*(n+1)+m) = ((n-k)!(n+m)!/(n+k)!/(n-m)!)^(1/2) D^k_{mn}, | |
| 4598 | +! where D^k_{mn} is defined in M&M JOSA 96 | |
| 4599 | +! | |
| 4600 | + call rotcoef(ct,2,nodrexp,dc) | |
| 4601 | + do j=1,4 | |
| 4602 | + do k=j,4 | |
| 4603 | + sm(j,k,i)=0.d0 | |
| 4604 | + enddo | |
| 4605 | + enddo | |
| 4606 | + do n=0,nodrexp | |
| 4607 | + nn0=n*(n+1) | |
| 4608 | + nnp2=nn0+2 | |
| 4609 | + nnm2=nn0-2 | |
| 4610 | + sm(1,1,i)=sm(1,1,i)+dc(0,nn0)*smc(1,1,n) | |
| 4611 | + sm(1,4,i)=sm(1,4,i)+dc(0,nn0)*smc(1,4,n) | |
| 4612 | + sm(4,4,i)=sm(4,4,i)+dc(0,nn0)*smc(4,4,n) | |
| 4613 | + if(n.ge.2) then | |
| 4614 | + sm(1,2,i)=sm(1,2,i)+dc(2,nn0)*smc(1,2,n) | |
| 4615 | + sm(2,4,i)=sm(2,4,i)+dc(2,nn0)*smc(2,4,n) | |
| 4616 | + sm(3,4,i)=sm(3,4,i)+dc(2,nn0)*smc(3,4,n) | |
| 4617 | + sm(1,3,i)=sm(1,3,i)+dc(2,nn0)*smc(1,3,n) | |
| 4618 | + sm(2,2,i)=sm(2,2,i)+dc(2,nnm2)*smc(2,2,n)+dc(2,nnp2)*smc(3,3,n) | |
| 4619 | + sm(2,3,i)=sm(2,3,i)+dc(2,nnp2)*smc(2,3,n)+dc(2,nnp2)*smc(3,2,n) | |
| 4620 | + sm(3,3,i)=sm(3,3,i)-dc(2,nnm2)*smc(2,2,n)+dc(2,nnp2)*smc(3,3,n) | |
| 4621 | + endif | |
| 4622 | + enddo | |
| 4623 | +! | |
| 4624 | +! discontiued scaling option: now done in main program | |
| 4625 | +! | |
| 4626 | +! if(iscale.eq.1) then | |
| 4627 | +! do j=1,4 | |
| 4628 | +! do k=j,4 | |
| 4629 | +! if(j.ne.1.or.k.ne.1) then | |
| 4630 | +! sm(j,k,i)=sm(j,k,i)/sm(1,1,i) | |
| 4631 | +! endif | |
| 4632 | +! enddo | |
| 4633 | +! enddo | |
| 4634 | +! endif | |
| 4635 | +! | |
| 4636 | +! here are the VV and HH differential cross sections | |
| 4637 | +! | |
| 4638 | +! gvv=.25*(sm(1,1)+sm(2,2)-2.*sm(1,2)) | |
| 4639 | +! ghh=.25*(sm(1,1)+sm(2,2)+2.*sm(1,2)) | |
| 4640 | +! | |
| 4641 | + enddo | |
| 4642 | + return | |
| 4643 | + end subroutine ranorienscatmatrixcalc | |
| 4644 | + end module scatprops | |
| 4645 | +! | |
| 4646 | +! module nearfield contains local data and subroutines for near field calculation | |
| 4647 | +! | |
| 4648 | +! | |
| 4649 | +! last revised: 15 January 2011 | |
| 4650 | +! 30 March 2011: added optical activity | |
| 4651 | +! | |
| 4652 | + module nearfield | |
| 4653 | + implicit none | |
| 4654 | + integer, private :: axialinc,ndimpw,nodrpwmax | |
| 4655 | + integer, private, allocatable :: nblk_nf(:),noff_nf(:) | |
| 4656 | + real(8), private :: rplotmax | |
| 4657 | + complex(8), allocatable, private :: amnp_nf(:),cmnp_nf(:),pmnp_nf(:), & | |
| 4658 | + amn3mp_nf(:),cmn3mp_nf(:),pmn3mp_nf(:) | |
| 4659 | + contains | |
| 4660 | +! | |
| 4661 | +! nearfieldspherepart calculates the field at point xg generated by the spheres | |
| 4662 | +! | |
| 4663 | +! | |
| 4664 | +! last revised: 15 January 2011 | |
| 4665 | +! 30 March 2011: added optical activity | |
| 4666 | +! | |
| 4667 | + subroutine nearfieldspherepart(xg,nsphere,xsp,rpos,ri,& | |
| 4668 | + nodr,neqns,insphere,efield,hfield) | |
| 4669 | + use specialfuncs | |
| 4670 | + use numconstants | |
| 4671 | + implicit none | |
| 4672 | + integer :: nsphere,nodr(nsphere),neqns,i,insphere,nblki,n | |
| 4673 | + real(8) :: xg(3),xsp(nsphere),rpos(3,nsphere),x(3),r | |
| 4674 | + complex(8) :: ri(2,nsphere),vwh(3,neqns),efield(3),hfield(3),ri0,cn1,cn2 | |
| 4675 | + complex(8), allocatable :: vwhleft(:,:,:),vwhright(:,:,:) | |
| 4676 | + | |
| 4677 | +! | |
| 4678 | +! find if the point is inside a sphere | |
| 4679 | +! | |
| 4680 | + insphere=0 | |
| 4681 | + do i=1,nsphere | |
| 4682 | + x=xg(:)-rpos(:,i) | |
| 4683 | + r=sqrt(dot_product(x,x)) | |
| 4684 | + if(r.le.xsp(i)) then | |
| 4685 | + insphere=i | |
| 4686 | + exit | |
| 4687 | + endif | |
| 4688 | + enddo | |
| 4689 | +! | |
| 4690 | +! do the calculations | |
| 4691 | +! | |
| 4692 | + if(insphere.eq.0) then | |
| 4693 | +! | |
| 4694 | +! outside a sphere: field = scattered | |
| 4695 | +! | |
| 4696 | + do i=1,nsphere | |
| 4697 | + x=xg(:)-rpos(:,i) | |
| 4698 | + ri0=(1.d0,0.d0) | |
| 4699 | + call vwhcalc(x,ri0,nodr(i),3,vwh(1:3,noff_nf(i)+1:noff_nf(i)+nblk_nf(i))) | |
| 4700 | + enddo | |
| 4701 | + efield(:)=matmul(vwh(:,1:neqns),amnp_nf(1:neqns)) | |
| 4702 | + hfield(:)=matmul(vwh(:,1:neqns),amn3mp_nf(1:neqns))/dcmplx(0.d0,1.d0) | |
| 4703 | + else | |
| 4704 | +! | |
| 4705 | +! inside a sphere: field = internal | |
| 4706 | +! | |
| 4707 | + i=insphere | |
| 4708 | + if(abs(ri(1,i)-ri(2,i)).eq.0) then | |
| 4709 | + x=xg(:)-rpos(:,i) | |
| 4710 | + call vwhcalc(x,ri(1,i),nodr(i),1,vwh) | |
| 4711 | + efield(:)=matmul(vwh(:,1:nblk_nf(i)), & | |
| 4712 | + cmnp_nf(noff_nf(i)+1:noff_nf(i)+nblk_nf(i))) | |
| 4713 | + hfield(:)=matmul(vwh(:,1:nblk_nf(i)), & | |
| 4714 | + cmn3mp_nf(noff_nf(i)+1:noff_nf(i)+nblk_nf(i)))*ri(1,i)/dcmplx(0.d0,1.d0) | |
| 4715 | + else | |
| 4716 | + nblki=nodr(i)*(nodr(i)+2) | |
| 4717 | + allocate(vwhleft(3,2,nblki),vwhright(3,2,nblki)) | |
| 4718 | + x=xg(:)-rpos(:,i) | |
| 4719 | + call vwhcalc(x,ri(1,i),nodr(i),1,vwhleft) | |
| 4720 | + call vwhcalc(x,ri(2,i),nodr(i),1,vwhright) | |
| 4721 | + efield=0.d0 | |
| 4722 | + hfield=0.d0 | |
| 4723 | + do n=1,nblki | |
| 4724 | + cn1=cmnp_nf(noff_nf(i)+2*n-1) | |
| 4725 | + cn2=cmnp_nf(noff_nf(i)+2*n) | |
| 4726 | + efield(:)=efield(:)+(vwhleft(:,1,n)+vwhleft(:,2,n))*cn1 & | |
| 4727 | + +(vwhright(:,1,n)-vwhright(:,2,n))*cn2 | |
| 4728 | + hfield(:)=hfield(:)+((vwhleft(:,2,n)+vwhleft(:,1,n))*cn1*ri(1,i) & | |
| 4729 | + +(vwhright(:,2,n)-vwhright(:,1,n))*cn2*ri(2,i))/dcmplx(0.d0,1.d0) | |
| 4730 | + enddo | |
| 4731 | + deallocate(vwhleft,vwhright) | |
| 4732 | + endif | |
| 4733 | + endif | |
| 4734 | + end subroutine nearfieldspherepart | |
| 4735 | +! | |
| 4736 | +! nearfieldincidentpart calculates the incident field at point xg using a regular | |
| 4737 | +! vswh expansion | |
| 4738 | +! | |
| 4739 | +! | |
| 4740 | +! last revised: 15 January 2011 | |
| 4741 | +! | |
| 4742 | + subroutine nearfieldincidentpart(xg,nodrpw,efield,hfield) | |
| 4743 | + use specialfuncs | |
| 4744 | + use numconstants | |
| 4745 | + implicit none | |
| 4746 | + integer :: nblkpw,nodrpw | |
| 4747 | + real(8) :: xg(3),r,epspw | |
| 4748 | + complex(8) :: vwhpw(3,nodrpw*(nodrpw+2)*2),vwhpwaxial(3,4*nodrpw), & | |
| 4749 | + efield(3),hfield(3) | |
| 4750 | +! | |
| 4751 | +! oblique incidence: use the full expansion | |
| 4752 | +! | |
| 4753 | + if(axialinc.eq.0) then | |
| 4754 | + call vwhcalc(xg,(1.d0,0.d0),nodrpw,1,vwhpw) | |
| 4755 | + nblkpw=nodrpw*(nodrpw+2)*2 | |
| 4756 | + efield(:)=matmul(vwhpw(:,1:nblkpw),pmnp_nf(1:nblkpw)) | |
| 4757 | + hfield(:)=matmul(vwhpw(:,1:nblkpw),pmn3mp_nf(1:nblkpw))/dcmplx(0.d0,1.d0) | |
| 4758 | + else | |
| 4759 | +! | |
| 4760 | +! axial incidence: use the shortcut | |
| 4761 | +! | |
| 4762 | + call vwhaxialcalc(xg,(1.d0,0.d0),nodrpw,1,vwhpwaxial) | |
| 4763 | + nblkpw=4*nodrpw | |
| 4764 | + efield(:)=matmul(vwhpwaxial(:,1:nblkpw),pmnp_nf(1:nblkpw)) | |
| 4765 | + hfield(:)=matmul(vwhpwaxial(:,1:nblkpw),pmn3mp_nf(1:nblkpw))/dcmplx(0.d0,1.d0) | |
| 4766 | + endif | |
| 4767 | + end subroutine nearfieldincidentpart | |
| 4768 | +! | |
| 4769 | +! nearfieldincidentcoef generates the reshaped array of incident field coefficients | |
| 4770 | +! | |
| 4771 | +! | |
| 4772 | +! last revised: 15 January 2011 | |
| 4773 | +! | |
| 4774 | + subroutine nearfieldincidentcoef(nodrpw,alpha,beta,gamma,cbeam,epspw) | |
| 4775 | + use specialfuncs | |
| 4776 | + use spheredata | |
| 4777 | + use miecoefdata | |
| 4778 | + use numconstants | |
| 4779 | + implicit none | |
| 4780 | + integer :: m,n,p,nn1,mn,mnp,nodrpw | |
| 4781 | + real (8) :: alpha,beta,cbeam,gamma,epspw,cgamma,sgamma | |
| 4782 | + complex(8), allocatable :: pmnp0(:,:,:,:) | |
| 4783 | + allocate(pmnp0(0:nodrpw+1,nodrpw,2,2)) | |
| 4784 | + if(allocated(pmnp_nf)) deallocate(pmnp_nf,pmn3mp_nf) | |
| 4785 | + if(beta.ne.0.d0) then | |
| 4786 | + axialinc=0 | |
| 4787 | + ndimpw=2*nodrpw*(nodrpw+2) | |
| 4788 | + else | |
| 4789 | + axialinc=1 | |
| 4790 | + ndimpw=4*nodrpw | |
| 4791 | + endif | |
| 4792 | + allocate(pmnp_nf(ndimpw),pmn3mp_nf(ndimpw)) | |
| 4793 | + if(cbeam.eq.0.d0) then | |
| 4794 | + call planewavecoef(alpha,beta,nodrpw,pmnp0) | |
| 4795 | + else | |
| 4796 | + call gaussianbeamcoef(alpha,beta,cbeam,nodrpw,pmnp0) | |
| 4797 | + endif | |
| 4798 | + cgamma=cos(gamma) | |
| 4799 | + sgamma=sin(gamma) | |
| 4800 | + if(axialinc.eq.0) then | |
| 4801 | + do n=1,nodrpw | |
| 4802 | + nn1=n*(n+1) | |
| 4803 | + do p=1,2 | |
| 4804 | + do m=-n,-1 | |
| 4805 | + mn=nn1+m | |
| 4806 | + mnp=2*(mn-1)+p | |
| 4807 | + pmnp_nf(mnp)=pmnp0(n+1,-m,p,1)*cgamma+pmnp0(n+1,-m,p,2)*sgamma | |
| 4808 | + pmn3mp_nf(mnp)=pmnp0(n+1,-m,3-p,1)*cgamma+pmnp0(n+1,-m,3-p,2)*sgamma | |
| 4809 | + enddo | |
| 4810 | + do m=0,n | |
| 4811 | + mn=nn1+m | |
| 4812 | + mnp=2*(mn-1)+p | |
| 4813 | + pmnp_nf(mnp)=pmnp0(m,n,p,1)*cgamma+pmnp0(m,n,p,2)*sgamma | |
| 4814 | + pmn3mp_nf(mnp)=pmnp0(m,n,3-p,1)*cgamma+pmnp0(m,n,3-p,2)*sgamma | |
| 4815 | + enddo | |
| 4816 | + enddo | |
| 4817 | + enddo | |
| 4818 | + else | |
| 4819 | + do n=1,nodrpw | |
| 4820 | + do p=1,2 | |
| 4821 | + mnp=4*(n-1)+p | |
| 4822 | + pmnp_nf(mnp)=pmnp0(n+1,1,p,1)*cgamma+pmnp0(n+1,1,p,2)*sgamma | |
| 4823 | + pmn3mp_nf(mnp)=pmnp0(n+1,1,3-p,1)*cgamma+pmnp0(n+1,1,3-p,2)*sgamma | |
| 4824 | + pmnp_nf(mnp+2)=pmnp0(1,n,p,1)*cgamma+pmnp0(1,n,p,2)*sgamma | |
| 4825 | + pmn3mp_nf(mnp+2)=pmnp0(1,n,3-p,1)*cgamma+pmnp0(1,n,3-p,2)*sgamma | |
| 4826 | + enddo | |
| 4827 | + enddo | |
| 4828 | + endif | |
| 4829 | + deallocate(pmnp0) | |
| 4830 | + end subroutine nearfieldincidentcoef | |
| 4831 | +! | |
| 4832 | +! nearfieldpointcalc: if newcalc = 1, generates the reshaped incident, scattered, and | |
| 4833 | +! internal field coefficients, and returns with newcalc=0 | |
| 4834 | +! if newcalc = 0, generates the field at point xg | |
| 4835 | +! | |
| 4836 | +! | |
| 4837 | +! last revised: 15 January 2011 | |
| 4838 | +! 30 March 2011: added optical activity | |
| 4839 | +! | |
| 4840 | + subroutine nearfieldpointcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 4841 | + gamma,epspw,xg,newcalc,efield,hfield) | |
| 4842 | + use specialfuncs | |
| 4843 | + use spheredata | |
| 4844 | + use miecoefdata | |
| 4845 | + use numconstants | |
| 4846 | + implicit none | |
| 4847 | + integer :: nsphere,neqns,nodr(nsphere),i,j,k,m,n,p,nn1,mn,nodrpw,newcalc, & | |
| 4848 | + insphere | |
| 4849 | + real (8) :: alpha,beta,cbeam,xsp(nsphere),rpos(3,nsphere),xg(3),xgp(3), & | |
| 4850 | + gamma,epspw,rplot,cgamma,sgamma | |
| 4851 | + complex(8) :: amnp(neqns,2),ri(2,nsphere),efield(3),hfield(3),einc(3),hinc(3),ri0, & | |
| 4852 | + ct1,ct2 | |
| 4853 | + complex(8), allocatable :: pmnp0(:,:,:,:),cnmie(:,:,:),amnpt(:,:),cmnpt(:,:) | |
| 4854 | +! | |
| 4855 | +! initialization operations: newcalc=1 | |
| 4856 | +! | |
| 4857 | + if(newcalc.eq.1) then | |
| 4858 | + if(allocated(amnp_nf)) deallocate(amnp_nf,cmnp_nf,amn3mp_nf,cmn3mp_nf, & | |
| 4859 | + noff_nf,nblk_nf) | |
| 4860 | + allocate(amnp_nf(neqns),cmnp_nf(neqns),amn3mp_nf(neqns),cmn3mp_nf(neqns), & | |
| 4861 | + noff_nf(nsphere),nblk_nf(nsphere)) | |
| 4862 | + noff_nf(1)=0 | |
| 4863 | + do i=1,nsphere | |
| 4864 | + nblk_nf(i)=2*nodr(i)*(nodr(i)+2) | |
| 4865 | + if(i.lt.nsphere) noff_nf(i+1)=noff_nf(i)+nblk_nf(i) | |
| 4866 | + enddo | |
| 4867 | + cgamma=cos(gamma) | |
| 4868 | + sgamma=sin(gamma) | |
| 4869 | + do i=1,nsphere | |
| 4870 | + ri0=2.d0/(1.d0/ri(1,i)+1.d0/ri(2,i)) | |
| 4871 | + allocate(pmnp0(0:nodr(i)+1,nodr(i),2,2),cnmie(2,2,nodr(i)),& | |
| 4872 | + amnpt(2,nodr(i)*(nodr(i)+2)),cmnpt(2,nodr(i)*(nodr(i)+2))) | |
| 4873 | + call getmiedata(which_sphere=i,sphere_int_mie_coefficients=cnmie) | |
| 4874 | + do p=1,2 | |
| 4875 | + pmnp0(0:nodr(i)+1,1:nodr(i),1:2,p) & | |
| 4876 | + =reshape(amnp(noff_nf(i)+1:noff_nf(i)+nblk_nf(i),p),(/nodr(i)+2,nodr(i),2/)) | |
| 4877 | + enddo | |
| 4878 | + if(abs(ri(1,i)-ri(2,i)).gt.1.d-10) then | |
| 4879 | + do n=1,nodr(i) | |
| 4880 | + nn1=n*(n+1) | |
| 4881 | + do p=1,2 | |
| 4882 | + do m=-n,-1 | |
| 4883 | + mn=nn1+m | |
| 4884 | + amnpt(p,mn)=pmnp0(n+1,-m,p,1)*cgamma+pmnp0(n+1,-m,p,2)*sgamma | |
| 4885 | + enddo | |
| 4886 | + do m=0,n | |
| 4887 | + mn=nn1+m | |
| 4888 | + amnpt(p,mn)=pmnp0(m,n,p,1)*cgamma+pmnp0(m,n,p,2)*sgamma | |
| 4889 | + enddo | |
| 4890 | + enddo | |
| 4891 | + do m=-n,n | |
| 4892 | + mn=nn1+m | |
| 4893 | + ct1=amnpt(1,mn)*cnmie(1,1,n)+amnpt(2,mn)*cnmie(1,2,n) | |
| 4894 | + ct2=amnpt(1,mn)*cnmie(2,1,n)+amnpt(2,mn)*cnmie(2,2,n) | |
| 4895 | + cmnpt(1,mn)=ct1 | |
| 4896 | + cmnpt(2,mn)=-(0.d0,1.d0)/ri0*ct2 | |
| 4897 | + enddo | |
| 4898 | + enddo | |
| 4899 | + else | |
| 4900 | + do n=1,nodr(i) | |
| 4901 | + nn1=n*(n+1) | |
| 4902 | + do p=1,2 | |
| 4903 | + do m=-n,-1 | |
| 4904 | + mn=nn1+m | |
| 4905 | + amnpt(p,mn)=pmnp0(n+1,-m,p,1)*cgamma+pmnp0(n+1,-m,p,2)*sgamma | |
| 4906 | + cmnpt(p,mn)=amnpt(p,mn)*cnmie(p,p,n) | |
| 4907 | + enddo | |
| 4908 | + do m=0,n | |
| 4909 | + mn=nn1+m | |
| 4910 | + amnpt(p,mn)=pmnp0(m,n,p,1)*cgamma+pmnp0(m,n,p,2)*sgamma | |
| 4911 | + cmnpt(p,mn)=amnpt(p,mn)*cnmie(p,p,n) | |
| 4912 | + enddo | |
| 4913 | + enddo | |
| 4914 | + enddo | |
| 4915 | + endif | |
| 4916 | + amnp_nf(noff_nf(i)+1:noff_nf(i)+nblk_nf(i))= & | |
| 4917 | + reshape(amnpt(1:2,1:nodr(i)*(nodr(i)+2)),(/nblk_nf(i)/)) | |
| 4918 | + cmnp_nf(noff_nf(i)+1:noff_nf(i)+nblk_nf(i))= & | |
| 4919 | + reshape(cmnpt(1:2,1:nodr(i)*(nodr(i)+2)),(/nblk_nf(i)/)) | |
| 4920 | + amn3mp_nf(noff_nf(i)+1:noff_nf(i)+nblk_nf(i))= & | |
| 4921 | + reshape(amnpt(2:1:-1,1:nodr(i)*(nodr(i)+2)),(/nblk_nf(i)/)) | |
| 4922 | + cmn3mp_nf(noff_nf(i)+1:noff_nf(i)+nblk_nf(i))= & | |
| 4923 | + reshape(cmnpt(2:1:-1,1:nodr(i)*(nodr(i)+2)),(/nblk_nf(i)/)) | |
| 4924 | + deallocate(pmnp0,cnmie,amnpt,cmnpt) | |
| 4925 | + enddo | |
| 4926 | + rplot=sqrt(dot_product(xg,xg)) | |
| 4927 | + rplotmax=rplot | |
| 4928 | + call planewavetruncationorder(rplot,epspw,nodrpw) | |
| 4929 | + nodrpwmax=nodrpw | |
| 4930 | + call nearfieldincidentcoef(nodrpw,alpha,beta,gamma,cbeam,epspw) | |
| 4931 | + newcalc=0 | |
| 4932 | + return | |
| 4933 | + endif | |
| 4934 | +! | |
| 4935 | +! point calculation operations: newcalc=0 | |
| 4936 | +! first determine the required order of the incident field expansion, and recalculate | |
| 4937 | +! field coefficients, if necessary | |
| 4938 | +! | |
| 4939 | + rplot=sqrt(dot_product(xg,xg)) | |
| 4940 | + rplotmax=max(rplot,rplotmax) | |
| 4941 | + call planewavetruncationorder(rplot,epspw,nodrpw) | |
| 4942 | + if(nodrpw.gt.nodrpwmax) then | |
| 4943 | + nodrpwmax=nodrpw | |
| 4944 | + call nearfieldincidentcoef(nodrpw,alpha,beta,gamma,cbeam,epspw) | |
| 4945 | + endif | |
| 4946 | + efield=0.d0 | |
| 4947 | + hfield=0.d0 | |
| 4948 | +! | |
| 4949 | +! calculate the sphere contribution to the field | |
| 4950 | +! | |
| 4951 | + call nearfieldspherepart(xg,nsphere,xsp,rpos,ri,& | |
| 4952 | + nodr,neqns,insphere,efield,hfield) | |
| 4953 | +! | |
| 4954 | +! if the point is external to the spheres, calculate the incident field | |
| 4955 | +! | |
| 4956 | + if(insphere.eq.0) then | |
| 4957 | + call nearfieldincidentpart(xg,nodrpw,einc,hinc) | |
| 4958 | + efield=efield+einc | |
| 4959 | + hfield=hfield+hinc | |
| 4960 | + endif | |
| 4961 | + end subroutine nearfieldpointcalc | |
| 4962 | +! | |
| 4963 | +! nearfieldgridcalc is an MPI--enabled subroutine for calculating field points on a | |
| 4964 | +! rectangular grid. Writes the data to nfoutunit. | |
| 4965 | +! | |
| 4966 | +! | |
| 4967 | +! last revised: 15 January 2011 | |
| 4968 | +! 30 March 2011: added optical activity | |
| 4969 | +! changed so that input positions are defined relative to sphere position file origin, and | |
| 4970 | +! not the gb focal point. | |
| 4971 | +! | |
| 4972 | + subroutine nearfieldgridcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 4973 | + nfplane,nfplanepos0,nfplanevert0,gbfocus,deltax,gamma,nfoutunit,epspw, & | |
| 4974 | + nfoutdata,runprintunit) | |
| 4975 | + use mpidefs | |
| 4976 | + use mpidata | |
| 4977 | + use intrinsics | |
| 4978 | + use specialfuncs | |
| 4979 | + use spheredata | |
| 4980 | + use miecoefdata | |
| 4981 | + use numconstants | |
| 4982 | + implicit none | |
| 4983 | + integer :: nsphere,neqns,nodr(nsphere),nfplane,runprintunit,npoints1,npoints2, & | |
| 4984 | + npoints,i,j,k,np23,gcoord(3),rank,numprocs,nrowperproc,nrowrem, & | |
| 4985 | + npoints1by5,plotincfield,nsp,nfoutunit,nfoutdata,newcalc | |
| 4986 | + real (8) :: alpha,beta,cbeam,xsp(nsphere),rpos(3,nsphere),nfplanepos,& | |
| 4987 | + nfplanevert(2,2),frowperproc,rowsum,xg(3),xgp(3),deltax,gamma,epspw, & | |
| 4988 | + time1,time2,xplot(3,nsphere),xi0,ri0,esquare,xgpmax(3),rplot, & | |
| 4989 | + gbfocus(3),nfplanepos0,nfplanevert0(2,2) | |
| 4990 | + complex(8) :: amnp(neqns,2),ri(2,nsphere),efield(3),hfield(3) | |
| 4991 | + integer, allocatable :: efindex(:),efnum(:) | |
| 4992 | + complex(8), allocatable :: efieldrow(:,:),efieldrowt(:,:),hfieldrow(:,:),hfieldrowt(:,:) | |
| 4993 | + call ms_mpi(mpi_command='size',mpi_size=numprocs) | |
| 4994 | + call ms_mpi(mpi_command='rank',mpi_rank=rank) | |
| 4995 | +! | |
| 4996 | +! determine the plane | |
| 4997 | +! | |
| 4998 | + if(nfplane.eq.1) then | |
| 4999 | + gcoord=(/2,3,1/) | |
| 5000 | + elseif(nfplane.eq.2) then | |
| 5001 | + gcoord=(/3,1,2/) | |
| 5002 | + else | |
| 5003 | + gcoord=(/1,2,3/) | |
| 5004 | + endif | |
| 5005 | +! | |
| 5006 | +! shift the coordinates to gb focal origin | |
| 5007 | +! | |
| 5008 | + nfplanevert(1,1)=nfplanevert0(1,1)-gbfocus(gcoord(1)) | |
| 5009 | + nfplanevert(1,2)=nfplanevert0(1,2)-gbfocus(gcoord(1)) | |
| 5010 | + nfplanevert(2,1)=nfplanevert0(2,1)-gbfocus(gcoord(2)) | |
| 5011 | + nfplanevert(2,2)=nfplanevert0(2,2)-gbfocus(gcoord(2)) | |
| 5012 | + nfplanepos=nfplanepos0-gbfocus(gcoord(3)) | |
| 5013 | + xg(gcoord(3))=nfplanepos | |
| 5014 | +! | |
| 5015 | +! determine the number of points | |
| 5016 | +! | |
| 5017 | + npoints1=nint((nfplanevert(1,2)-nfplanevert(1,1))/deltax)+1 | |
| 5018 | + npoints2=nint((nfplanevert(2,2)-nfplanevert(2,1))/deltax)+1 | |
| 5019 | + npoints=npoints1*npoints2 | |
| 5020 | +! | |
| 5021 | +! find the maximum point-to-target origin distance and initialize the field calculation | |
| 5022 | +! | |
| 5023 | + xgp(3)=nfplanepos | |
| 5024 | + rplotmax=0.d0 | |
| 5025 | + xgpmax=0.d0 | |
| 5026 | + do i=1,npoints1 | |
| 5027 | + xgp(1)=nfplanevert(1,1)+deltax*dble(i-1) | |
| 5028 | + do j=1,npoints2 | |
| 5029 | + xgp(2)=nfplanevert(2,1)+deltax*dble(j-1) | |
| 5030 | + rplot=sqrt(dot_product(xgp,xgp)) | |
| 5031 | + if(rplot.gt.rplotmax) then | |
| 5032 | + rplotmax=rplot | |
| 5033 | + xgpmax=xgp | |
| 5034 | + endif | |
| 5035 | + enddo | |
| 5036 | + enddo | |
| 5037 | + newcalc=1 | |
| 5038 | + call nearfieldpointcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 5039 | + gamma,epspw,xgpmax,newcalc,efield,hfield) | |
| 5040 | +! | |
| 5041 | +! determine the intersecting spheres | |
| 5042 | +! | |
| 5043 | + nsp=0 | |
| 5044 | + do i=1,nsphere | |
| 5045 | + xi0=abs(rpos(gcoord(3),i)-xg(gcoord(3))) | |
| 5046 | + if(xi0.le.xsp(i)) then | |
| 5047 | + nsp=nsp+1 | |
| 5048 | + xplot(1,nsp)=rpos(gcoord(1),i)+gbfocus(gcoord(1)) | |
| 5049 | + xplot(2,nsp)=rpos(gcoord(2),i)+gbfocus(gcoord(2)) | |
| 5050 | + ri0=xsp(i)*xsp(i)-xi0*xi0 | |
| 5051 | + if(ri0.ne.0.) ri0=sqrt(ri0) | |
| 5052 | + xplot(3,nsp)=ri0 | |
| 5053 | + endif | |
| 5054 | + enddo | |
| 5055 | +! | |
| 5056 | +! report to runprintunit | |
| 5057 | +! | |
| 5058 | + if(rank.eq.0) then | |
| 5059 | + write(runprintunit,'('' near field calculations'')') | |
| 5060 | + write(runprintunit,'('' plane, position:'',i5,f9.3)') nfplane,nfplanepos0 | |
| 5061 | + write(runprintunit,'('' rectangular plot vertices:'')') | |
| 5062 | + write(runprintunit,'('' min:'',3f9.3)') nfplanevert0(1:2,1) | |
| 5063 | + write(runprintunit,'('' max:'',3f9.3)') nfplanevert0(1:2,2) | |
| 5064 | + write(runprintunit,'('' number of plotting points, step size:'',i8,f8.3)') npoints, deltax | |
| 5065 | + write(runprintunit,'('' max plane wave order:'',i5)') nodrpwmax | |
| 5066 | + endif | |
| 5067 | +! | |
| 5068 | +! determine the distribution of work among the processors | |
| 5069 | +! | |
| 5070 | + allocate(efindex(0:numprocs-1),efnum(0:numprocs-1), & | |
| 5071 | + efieldrow(3,npoints2),efieldrowt(3,npoints2), & | |
| 5072 | + hfieldrow(3,npoints2),hfieldrowt(3,npoints2)) | |
| 5073 | + np23=3*npoints2 | |
| 5074 | + frowperproc=dble(npoints2)/dble(numprocs) | |
| 5075 | + rowsum=0. | |
| 5076 | + do i=0,numprocs-1 | |
| 5077 | + efindex(i)=floor(rowsum) | |
| 5078 | + rowsum=rowsum+frowperproc | |
| 5079 | + enddo | |
| 5080 | + do i=0,numprocs-2 | |
| 5081 | + efnum(i)=efindex(i+1)-efindex(i) | |
| 5082 | + enddo | |
| 5083 | + efnum(numprocs-1)=npoints2-efindex(numprocs-1) | |
| 5084 | + npoints1by5=int(npoints1/5.+.5) | |
| 5085 | +! | |
| 5086 | +! do the calculations and write the results to the file | |
| 5087 | +! | |
| 5088 | + if(rank.eq.0) then | |
| 5089 | + write(nfoutunit,*) npoints1,npoints2 | |
| 5090 | + write(nfoutunit,*) nsp | |
| 5091 | + do i=1,nsp | |
| 5092 | + write(nfoutunit,'(3e13.5)') xplot(1,i),xplot(2,i),xplot(3,i) | |
| 5093 | + enddo | |
| 5094 | + time1=mytime() | |
| 5095 | + endif | |
| 5096 | + xg(gcoord(3))=nfplanepos | |
| 5097 | + newcalc=0 | |
| 5098 | + do i=1,npoints1 | |
| 5099 | + xg(gcoord(1))=nfplanevert(1,1)+deltax*dble(i-1) | |
| 5100 | + xgp(gcoord(1))=nfplanevert0(1,1)+deltax*dble(i-1) | |
| 5101 | + efieldrowt=0.d0 | |
| 5102 | + efieldrow=0.d0 | |
| 5103 | + hfieldrowt=0.d0 | |
| 5104 | + hfieldrow=0.d0 | |
| 5105 | + do j=efindex(rank)+1,efindex(rank)+efnum(rank) | |
| 5106 | + xg(gcoord(2))=nfplanevert(2,1)+deltax*dble(j-1) | |
| 5107 | + call nearfieldpointcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 5108 | + gamma,epspw,xg,newcalc,efieldrowt(:,j),hfieldrowt(:,j)) | |
| 5109 | + enddo | |
| 5110 | + call ms_mpi(mpi_command='barrier') | |
| 5111 | + call ms_mpi(mpi_command='reduce',mpi_send_buf_dc=efieldrowt,mpi_recv_buf_dc=efieldrow,& | |
| 5112 | + mpi_number=np23,mpi_rank=0,mpi_operation=ms_mpi_sum) | |
| 5113 | + if(nfoutdata.ge.2) then | |
| 5114 | + call ms_mpi(mpi_command='reduce',mpi_send_buf_dc=hfieldrowt,mpi_recv_buf_dc=hfieldrow,& | |
| 5115 | + mpi_number=np23,mpi_rank=0,mpi_operation=ms_mpi_sum) | |
| 5116 | + endif | |
| 5117 | + if(rank.eq.0) then | |
| 5118 | + do j=1,npoints2 | |
| 5119 | + xgp(gcoord(2))=nfplanevert0(2,1)+deltax*dble(j-1) | |
| 5120 | + if(nfoutdata.eq.0) then | |
| 5121 | + esquare=dot_product(efieldrow(:,j),efieldrow(:,j)) | |
| 5122 | + write(nfoutunit,'(2f9.4,e13.5)') xgp(gcoord(1)),xgp(gcoord(2)),esquare | |
| 5123 | + elseif(nfoutdata.eq.1) then | |
| 5124 | + write(nfoutunit,'(2f9.4,6e13.5)') xgp(gcoord(1)),xgp(gcoord(2)),efieldrow(:,j) | |
| 5125 | + else | |
| 5126 | + write(nfoutunit,'(2f9.4,12e13.5)') xgp(gcoord(1)),xgp(gcoord(2)),efieldrow(:,j), & | |
| 5127 | + hfieldrow(:,j) | |
| 5128 | + endif | |
| 5129 | + enddo | |
| 5130 | + if(mod(i,npoints1by5).eq.0) then | |
| 5131 | + k=i/npoints1by5 | |
| 5132 | + time2=(mytime()-time1)*dble(5-k)/dble(k) | |
| 5133 | + call timewrite(runprintunit,' estimated time remaining:',time2) | |
| 5134 | + endif | |
| 5135 | + endif | |
| 5136 | + enddo | |
| 5137 | + deallocate(efindex,efnum,efieldrow,efieldrowt,hfieldrow,hfieldrowt) | |
| 5138 | + end subroutine nearfieldgridcalc | |
| 5139 | +! | |
| 5140 | +! nearfieldaverage is an MPI--enabled subroutine for calculating average field | |
| 5141 | +! values along a line. | |
| 5142 | +! | |
| 5143 | + subroutine nearfieldaverage(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 5144 | + nfplane,nfplaneposstart0,nfplaneposend0,numberplanes,nfplanevert0,gbfocus, & | |
| 5145 | + deltax,gamma,epspw,runprintunit,efieldavez,hfieldavez,svecavez) | |
| 5146 | + use mpidefs | |
| 5147 | + use mpidata | |
| 5148 | + use intrinsics | |
| 5149 | + use specialfuncs | |
| 5150 | + use spheredata | |
| 5151 | + use miecoefdata | |
| 5152 | + use numconstants | |
| 5153 | + implicit none | |
| 5154 | + integer :: nsphere,neqns,nodr(nsphere),nfplane,runprintunit,npoints1,npoints2, & | |
| 5155 | + npoints,i,j,k,np23,gcoord(3),rank,numprocs,nrowperproc,nrowrem, & | |
| 5156 | + npoints1by5,plotincfield,nsp,nfoutunit,nfoutdata,newcalc,nsend | |
| 5157 | + integer :: numberplanes | |
| 5158 | + real (8) :: alpha,beta,cbeam,xsp(nsphere),rpos(3,nsphere),nfplanepos,& | |
| 5159 | + nfplanevert(2,2),frowperproc,rowsum,xg(3),xgp(3),deltax,gamma,epspw, & | |
| 5160 | + time1,time2,xplot(3,nsphere),xi0,ri0,esquare,xgpmax(3),rplot, & | |
| 5161 | + gbfocus(3),nfplanepos0,nfplanevert0(2,2),nfplaneposstart,nfplaneposend, & | |
| 5162 | + deltanfplane,nfplaneposstart0,nfplaneposend0,svec(3),svecave(3) | |
| 5163 | + real (8) :: svecavez(3,numberplanes) | |
| 5164 | + real(8), allocatable :: xypoint(:,:) | |
| 5165 | + complex(8) :: amnp(neqns,2),ri(2,nsphere),efield(3),hfield(3),hfieldave(3),efieldave(3) | |
| 5166 | + complex(8) :: efieldavez(3,numberplanes),hfieldavez(3,numberplanes) | |
| 5167 | + integer, allocatable :: efindex(:),efnum(:) | |
| 5168 | + call ms_mpi(mpi_command='size',mpi_size=numprocs) | |
| 5169 | + call ms_mpi(mpi_command='rank',mpi_rank=rank) | |
| 5170 | +! | |
| 5171 | +! determine the plane | |
| 5172 | +! | |
| 5173 | + if(nfplane.eq.1) then | |
| 5174 | + gcoord=(/2,3,1/) | |
| 5175 | + elseif(nfplane.eq.2) then | |
| 5176 | + gcoord=(/3,1,2/) | |
| 5177 | + else | |
| 5178 | + gcoord=(/1,2,3/) | |
| 5179 | + endif | |
| 5180 | +! | |
| 5181 | +! shift the coordinates to gb focal origin | |
| 5182 | +! | |
| 5183 | + nfplanevert(1,1)=nfplanevert0(1,1)-gbfocus(gcoord(1)) | |
| 5184 | + nfplanevert(1,2)=nfplanevert0(1,2)-gbfocus(gcoord(1)) | |
| 5185 | + nfplanevert(2,1)=nfplanevert0(2,1)-gbfocus(gcoord(2)) | |
| 5186 | + nfplanevert(2,2)=nfplanevert0(2,2)-gbfocus(gcoord(2)) | |
| 5187 | + nfplaneposstart=nfplaneposstart0-gbfocus(gcoord(3)) | |
| 5188 | + nfplaneposend=nfplaneposend0-gbfocus(gcoord(3)) | |
| 5189 | + xg(gcoord(3))=nfplanepos | |
| 5190 | +! | |
| 5191 | +! determine the number of points | |
| 5192 | +! | |
| 5193 | + npoints1=nint((nfplanevert(1,2)-nfplanevert(1,1))/deltax)+1 | |
| 5194 | + npoints2=nint((nfplanevert(2,2)-nfplanevert(2,1))/deltax)+1 | |
| 5195 | + npoints=npoints1*npoints2 | |
| 5196 | + allocate(efindex(0:numprocs-1),efnum(0:numprocs-1),xypoint(2,npoints)) | |
| 5197 | + frowperproc=dble(npoints)/dble(numprocs) | |
| 5198 | + rowsum=0. | |
| 5199 | + do i=0,numprocs-1 | |
| 5200 | + efindex(i)=floor(rowsum) | |
| 5201 | + rowsum=rowsum+frowperproc | |
| 5202 | + enddo | |
| 5203 | + do i=0,numprocs-2 | |
| 5204 | + efnum(i)=efindex(i+1)-efindex(i) | |
| 5205 | + enddo | |
| 5206 | + efnum(numprocs-1)=npoints-efindex(numprocs-1) | |
| 5207 | + | |
| 5208 | + xgp(gcoord(3))=max(abs(nfplaneposstart),abs(nfplaneposend)) | |
| 5209 | + rplotmax=0.d0 | |
| 5210 | + xgpmax=0.d0 | |
| 5211 | + k=0 | |
| 5212 | + do i=1,npoints1 | |
| 5213 | + xgp(gcoord(1))=nfplanevert(1,1)+deltax*dble(i-1) | |
| 5214 | + do j=1,npoints2 | |
| 5215 | + xgp(gcoord(2))=nfplanevert(2,1)+deltax*dble(j-1) | |
| 5216 | + k=k+1 | |
| 5217 | + xypoint(1,k)=xgp(gcoord(1)) | |
| 5218 | + xypoint(2,k)=xgp(gcoord(2)) | |
| 5219 | + rplot=sqrt(dot_product(xgp,xgp)) | |
| 5220 | + if(rplot.gt.rplotmax) then | |
| 5221 | + rplotmax=rplot | |
| 5222 | + xgpmax=xgp | |
| 5223 | + endif | |
| 5224 | + enddo | |
| 5225 | + enddo | |
| 5226 | + newcalc=1 | |
| 5227 | + call nearfieldpointcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 5228 | + gamma,epspw,xgpmax,newcalc,efield,hfield) | |
| 5229 | + newcalc=0 | |
| 5230 | + | |
| 5231 | + do k=1,numberplanes | |
| 5232 | + if(numberplanes.eq.1) then | |
| 5233 | + nfplanepos=nfplaneposstart | |
| 5234 | + else | |
| 5235 | + nfplanepos=nfplaneposstart+(nfplaneposend-nfplaneposstart)*(k-1)/dble(numberplanes-1) | |
| 5236 | + endif | |
| 5237 | +! | |
| 5238 | +! find the maximum point-to-target origin distance and initialize the field calculation | |
| 5239 | +! | |
| 5240 | + xg(3)=nfplanepos | |
| 5241 | + efieldave=0. | |
| 5242 | + hfieldave=0. | |
| 5243 | + svecave=0. | |
| 5244 | + do i=efindex(rank)+1,efindex(rank)+efnum(rank) | |
| 5245 | + xg(gcoord(1))=xypoint(1,i) | |
| 5246 | + xg(gcoord(2))=xypoint(2,i) | |
| 5247 | + efield=0.d0 | |
| 5248 | + hfield=0.d0 | |
| 5249 | + call nearfieldpointcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, & | |
| 5250 | + gamma,epspw,xg,newcalc,efield,hfield) | |
| 5251 | + efieldave=efieldave+efield | |
| 5252 | + hfieldave=hfieldave+hfield | |
| 5253 | + hfield=conjg(hfield)/2.d0 | |
| 5254 | + svec(1)=-efield(3)*hfield(2)+efield(2)*hfield(3) | |
| 5255 | + svec(2)=efield(3)*hfield(1)-efield(1)*hfield(3) | |
| 5256 | + svec(3)=-efield(2)*hfield(1)+efield(1)*hfield(2) | |
| 5257 | + svecave=svecave+svec | |
| 5258 | + enddo | |
| 5259 | + call ms_mpi(mpi_command='barrier') | |
| 5260 | + efield=0.d0 | |
| 5261 | + hfield=0.d0 | |
| 5262 | + svec=0.d0 | |
| 5263 | + call ms_mpi(mpi_command='reduce',mpi_send_buf_dc=efieldave,mpi_recv_buf_dc=efield,& | |
| 5264 | + mpi_number=3,mpi_rank=0,mpi_operation=ms_mpi_sum) | |
| 5265 | + call ms_mpi(mpi_command='reduce',mpi_send_buf_dc=hfieldave,mpi_recv_buf_dc=hfield,& | |
| 5266 | + mpi_number=3,mpi_rank=0,mpi_operation=ms_mpi_sum) | |
| 5267 | + call ms_mpi(mpi_command='reduce',mpi_send_buf_dp=svecave,mpi_recv_buf_dp=svec,& | |
| 5268 | + mpi_number=3,mpi_rank=0,mpi_operation=ms_mpi_sum) | |
| 5269 | + call ms_mpi(mpi_command='barrier') | |
| 5270 | + if(rank.eq.0) then | |
| 5271 | + efield=efield/dble(npoints) | |
| 5272 | + hfield=hfield/dble(npoints) | |
| 5273 | + svec=svec/dble(npoints) | |
| 5274 | + efieldavez(:,k)=efield | |
| 5275 | + hfieldavez(:,k)=hfield | |
| 5276 | + svecavez(:,k)=svec | |
| 5277 | + i=gcoord(3) | |
| 5278 | + write(runprintunit,'('' plane:'',i5,f9.3,2e12.4)') k,nfplanepos, & | |
| 5279 | + svec(i) | |
| 5280 | + call flush(runprintunit) | |
| 5281 | + endif | |
| 5282 | + enddo | |
| 5283 | + nsend=3*numberplanes | |
| 5284 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=efieldavez, & | |
| 5285 | + mpi_number=nsend,mpi_rank=0) | |
| 5286 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=hfieldavez, & | |
| 5287 | + mpi_number=nsend,mpi_rank=0) | |
| 5288 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=svecavez, & | |
| 5289 | + mpi_number=nsend,mpi_rank=0) | |
| 5290 | + call ms_mpi(mpi_command='barrier') | |
| 5291 | + | |
| 5292 | + deallocate(efindex,efnum,xypoint) | |
| 5293 | + end subroutine nearfieldaverage | |
| 5294 | + | |
| 5295 | + | |
| 5296 | + end module nearfield | |
| 5297 | +! | |
| 5298 | +! module solver: subroutines for solving interaction equations for fixed orientation | |
| 5299 | +! and T matrix problems | |
| 5300 | +! | |
| 5301 | +! | |
| 5302 | +! last revised: 15 January 2011 | |
| 5303 | +! | |
| 5304 | + module solver | |
| 5305 | + implicit none | |
| 5306 | + | |
| 5307 | + contains | |
| 5308 | +! | |
| 5309 | +! tmatrixsoln: calculation of T matrix via solution of interaction equations for | |
| 5310 | +! a generalized plane wave expansion | |
| 5311 | +! | |
| 5312 | +! | |
| 5313 | +! original: 15 January 2011 | |
| 5314 | +! revised: 21 February 2011: call for sphereqeff changed | |
| 5315 | +! | |
| 5316 | + subroutine tmatrixsoln(neqns,nsphere,nodr,nodrt,xsp,rpos,epssoln,epscon,niter,& | |
| 5317 | + calctmatrix,tmatrixfile,fftranpresent,niterstep,qext,qabs,qsca,istat) | |
| 5318 | + use mpidefs | |
| 5319 | + use mpidata | |
| 5320 | + use intrinsics | |
| 5321 | + use numconstants | |
| 5322 | + use specialfuncs | |
| 5323 | + use miecoefdata | |
| 5324 | + use spheredata | |
| 5325 | + use translation | |
| 5326 | + use scatprops | |
| 5327 | + implicit none | |
| 5328 | + integer :: iter,niter,neqns,nsphere,nodr(nsphere),ntran(nsphere),nodrt, & | |
| 5329 | + nodrmax,i,ierr,istat,m,n,p,k,l,q,noff,nblk,ma,na,ka,la,mn,istart,iunit, & | |
| 5330 | + rank,iexit(1),calctmatrix,lt,kt,qt,nt,mt,it,nodrtt,lstart(1),numsolns,isoln, & | |
| 5331 | + isolnstart,igroup,ngroup,rgrank,lold,grank,nsend,nodrta(1), & | |
| 5332 | + fftranpresent,niterstep | |
| 5333 | + integer, allocatable :: lindex(:),kindex(:) | |
| 5334 | + real(8) :: eps,err,qext(nsphere),qabs(nsphere),qsca(nsphere),xsp(nsphere),xv, & | |
| 5335 | + rpos(3,nsphere),xij(3),qabsklq(nsphere),qscaklq(nsphere),qextklq(nsphere), & | |
| 5336 | + f2,qexttot,qabstot,qscatot,qextold(1),qscaold(1),errqe,errqs, & | |
| 5337 | + timetran,timesolve,time1,time2,epssoln,epscon,dtemp(4),timeorder,& | |
| 5338 | + at1,at2,at3,at4 | |
| 5339 | + real(8) :: qextl(nsphere),qabsl(nsphere),qscal(nsphere) | |
| 5340 | + real(8), allocatable :: qextgroup(:,:),qabsgroup(:,:),qscagroup(:,:) | |
| 5341 | + complex(8) :: amnp(neqns),pmnp(neqns),pmnpan(neqns) | |
| 5342 | + complex(8), allocatable :: pmnp0(:,:,:),ac(:,:,:,:),pmnpt(:,:,:),amnp0(:,:,:), & | |
| 5343 | + amnp0group(:,:,:) | |
| 5344 | + character*30 :: tmatrixfile | |
| 5345 | + character*4 :: timeunit | |
| 5346 | + data istart,iexit/1,0/ | |
| 5347 | + rank=base_rank | |
| 5348 | + rgrank=root_group_rank | |
| 5349 | + grank=group_rank | |
| 5350 | + ngroup=number_groups | |
| 5351 | + call getrunparameters(run_print_unit=iunit) | |
| 5352 | + xv=(sum(xsp**3.d0))**(1.d0/3.d0) | |
| 5353 | + nodrmax=maxval(nodr) | |
| 5354 | + qext=0.d0 | |
| 5355 | + qabs=0.d0 | |
| 5356 | + qsca=0.d0 | |
| 5357 | + qextold=0.d0 | |
| 5358 | + qscaold=0.d0 | |
| 5359 | +! | |
| 5360 | +! perform T matrix file operations as needed | |
| 5361 | +! | |
| 5362 | + if(rank.eq.0) then | |
| 5363 | + if(calctmatrix.eq.1) then | |
| 5364 | + open(3,file=tmatrixfile) | |
| 5365 | + write(3,'(i4)') nodrt | |
| 5366 | + lstart(1)=1 | |
| 5367 | + else | |
| 5368 | + open(3,file=tmatrixfile) | |
| 5369 | + write(iunit,'('' finding end of record to file '',a)') tmatrixfile | |
| 5370 | + read(3,*) nodrtt | |
| 5371 | + do l=1,nodrt | |
| 5372 | + do k=-l,l | |
| 5373 | + do q=1,2 | |
| 5374 | + read(3,'(3i5)',end=20,err=20) lt,kt,qt | |
| 5375 | + do n=1,l | |
| 5376 | + do m=-n,n | |
| 5377 | + read(3,'(2i5,4e17.9)',end=20,err=20) nt,mt,at1,at2,at3,at4 | |
| 5378 | + enddo | |
| 5379 | + enddo | |
| 5380 | + enddo | |
| 5381 | + enddo | |
| 5382 | + do i=1,nsphere | |
| 5383 | + read(3,'(i5,3e17.9)',end=20,err=20) it,qextl(i),qabsl(i),qscal(i) | |
| 5384 | + enddo | |
| 5385 | + qext=qext+qextl | |
| 5386 | + qabs=qabs+qabsl | |
| 5387 | + qsca=qsca+qscal | |
| 5388 | + enddo | |
| 5389 | +20 close(3) | |
| 5390 | + open(3,file=tmatrixfile) | |
| 5391 | + qextold(1)=0.d0 | |
| 5392 | + qabstot=0.d0 | |
| 5393 | + do i=1,nsphere | |
| 5394 | + qextold=qextold+qext(i)*xsp(i)*xsp(i)/xv/xv | |
| 5395 | + qabstot=qabstot+qabs(i)*xsp(i)*xsp(i)/xv/xv | |
| 5396 | + enddo | |
| 5397 | + qscaold(1)=qextold(1)-qabstot | |
| 5398 | + lstart(1)=lt | |
| 5399 | + read(3,*) nodrtt | |
| 5400 | + write(iunit,'('' calculations begin with order '',i5)') lstart(1) | |
| 5401 | + do l=1,lstart(1)-1 | |
| 5402 | + do k=-l,l | |
| 5403 | + do q=1,2 | |
| 5404 | + read(3,'(3i5)') lt,kt,qt | |
| 5405 | + do n=1,l | |
| 5406 | + do m=-n,n | |
| 5407 | + read(3,'(2i5,4e17.9)') nt,mt,at1,at2,at3,at4 | |
| 5408 | + enddo | |
| 5409 | + enddo | |
| 5410 | + enddo | |
| 5411 | + enddo | |
| 5412 | + do i=1,nsphere | |
| 5413 | + read(3,'(i5,3e17.9)') it,at1,at2,at3 | |
| 5414 | + enddo | |
| 5415 | + enddo | |
| 5416 | + endif | |
| 5417 | + endif | |
| 5418 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_i=lstart,mpi_number=1,mpi_rank=0) | |
| 5419 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qextold,mpi_number=1,mpi_rank=0) | |
| 5420 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qscaold,mpi_number=1,mpi_rank=0) | |
| 5421 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qext,mpi_number=nsphere,mpi_rank=0) | |
| 5422 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qabs,mpi_number=nsphere,mpi_rank=0) | |
| 5423 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dp=qsca,mpi_number=nsphere,mpi_rank=0) | |
| 5424 | + call ms_mpi(mpi_command='barrier') | |
| 5425 | + allocate(amnp0group(2,nodrt*(nodrt+2),0:ngroup-1),qextgroup(nsphere,0:ngroup-1), & | |
| 5426 | + qabsgroup(nsphere,0:ngroup-1),qscagroup(nsphere,0:ngroup-1)) | |
| 5427 | + numsolns=2*nodrt*(nodrt+2) | |
| 5428 | + allocate(lindex(numsolns),kindex(numsolns)) | |
| 5429 | +! | |
| 5430 | +! find the starting point | |
| 5431 | +! | |
| 5432 | + i=0 | |
| 5433 | + do l=1,nodrt | |
| 5434 | + do k=-l,l | |
| 5435 | + do q=1,2 | |
| 5436 | + i=i+1 | |
| 5437 | + lindex(i)=l | |
| 5438 | + kindex(i)=k | |
| 5439 | + enddo | |
| 5440 | + enddo | |
| 5441 | + enddo | |
| 5442 | + do i=1,numsolns | |
| 5443 | + if(lindex(i).eq.lstart(1).and.kindex(i).eq.-lstart(1)) exit | |
| 5444 | + enddo | |
| 5445 | + isolnstart=i | |
| 5446 | + qextl=0.d0 | |
| 5447 | + qabsl=0.d0 | |
| 5448 | + qscal=0.d0 | |
| 5449 | + lold=0 | |
| 5450 | +! | |
| 5451 | +! begin the loop over RHS of the interaction equations. The solutions are distributed | |
| 5452 | +! among ngroup groups of processors | |
| 5453 | +! | |
| 5454 | + do isoln=isolnstart,numsolns,ngroup | |
| 5455 | + if(rank.eq.0) timeorder=mytime() | |
| 5456 | + do igroup=0,ngroup-1 | |
| 5457 | + l=lindex(isoln+igroup) | |
| 5458 | + k=kindex(isoln+igroup) | |
| 5459 | + q=mod(isoln+igroup-1,2)+1 | |
| 5460 | +! | |
| 5461 | +! calculate the RHS | |
| 5462 | +! | |
| 5463 | + if(l.eq.-k.and.q.eq.1) then | |
| 5464 | + if(allocated(ac)) deallocate(ac,amnp0) | |
| 5465 | + allocate(ac(2,nodrmax*(nodrmax+2),-l:l,nsphere),amnp0(0:l+1,l,2)) | |
| 5466 | + do i=1,nsphere | |
| 5467 | + xij=rpos(:,i) | |
| 5468 | + call gentrancoef(1,xij,(1.d0,0.d0),1,nodrmax,l,l,0,0,ac(1,1,-l,i)) | |
| 5469 | + enddo | |
| 5470 | + endif | |
| 5471 | + if(igroup.eq.rgrank) then | |
| 5472 | + if(k.le.-1) then | |
| 5473 | + ka=l+1 | |
| 5474 | + la=-k | |
| 5475 | + else | |
| 5476 | + ka=k | |
| 5477 | + la=l | |
| 5478 | + endif | |
| 5479 | + noff=0 | |
| 5480 | + do i=1,nsphere | |
| 5481 | + nblk=nodr(i)*(nodr(i)+2)*2 | |
| 5482 | + allocate(pmnp0(0:nodr(i)+1,nodr(i),2)) | |
| 5483 | + do p=1,2 | |
| 5484 | + do n=1,nodr(i) | |
| 5485 | + do m=-n,n | |
| 5486 | + mn=n*(n+1)+m | |
| 5487 | + if(m.le.-1) then | |
| 5488 | + ma=n+1 | |
| 5489 | + na=-m | |
| 5490 | + else | |
| 5491 | + ma=m | |
| 5492 | + na=n | |
| 5493 | + endif | |
| 5494 | + pmnp0(ma,na,p)=ac(abs(p-q)+1,mn,k,i) | |
| 5495 | + enddo | |
| 5496 | + enddo | |
| 5497 | + enddo | |
| 5498 | + pmnp(noff+1:noff+nblk)=reshape(pmnp0,(/nblk/)) | |
| 5499 | + deallocate(pmnp0) | |
| 5500 | + noff=noff+nblk | |
| 5501 | + enddo | |
| 5502 | +! | |
| 5503 | +! multiply RHS by mie coefficients | |
| 5504 | +! | |
| 5505 | + call miecoeffmult(1,nsphere,neqns,pmnp,pmnpan) | |
| 5506 | + amnp=pmnpan | |
| 5507 | +! | |
| 5508 | +! call the solver | |
| 5509 | +! | |
| 5510 | + if(fftranpresent.eq.1) then | |
| 5511 | + call cbicgff(neqns,nsphere,niter,epssoln,pmnpan,amnp,0, & | |
| 5512 | + niterstep,iter,err) | |
| 5513 | + else | |
| 5514 | + call cbicg(neqns,nsphere,niter,epssoln,pmnpan,amnp,0,iter,err) | |
| 5515 | + endif | |
| 5516 | + if(iter.gt.niter.or.err.gt.epssoln) istat=1 | |
| 5517 | + call sphereqeff(nsphere,neqns,nodr,nodrmax,xsp,amnp,amnp, & | |
| 5518 | + pmnp,pmnp,qextklq,qabsklq,qscaklq) | |
| 5519 | + qextgroup(1:nsphere,igroup)=qextklq(1:nsphere) | |
| 5520 | + qabsgroup(1:nsphere,igroup)=qabsklq(1:nsphere) | |
| 5521 | + qscagroup(1:nsphere,igroup)=qscaklq(1:nsphere) | |
| 5522 | +! | |
| 5523 | +! compute the target-based expansion | |
| 5524 | +! | |
| 5525 | + ntran=l | |
| 5526 | + amnp0=0.d0 | |
| 5527 | + call amncommonorigin(neqns,nsphere,nodr,ntran,l,rpos, & | |
| 5528 | + amnp,amnp0) | |
| 5529 | + do n=1,l | |
| 5530 | + do m=-n,n | |
| 5531 | + if(m.le.-1) then | |
| 5532 | + ma=n+1 | |
| 5533 | + na=-m | |
| 5534 | + else | |
| 5535 | + ma=m | |
| 5536 | + na=n | |
| 5537 | + endif | |
| 5538 | + mn=n*(n+1)+m | |
| 5539 | + do p=1,2 | |
| 5540 | + amnp0group(p,mn,igroup)=amnp0(ma,na,p) | |
| 5541 | + enddo | |
| 5542 | + enddo | |
| 5543 | + enddo | |
| 5544 | + endif | |
| 5545 | + enddo | |
| 5546 | +! | |
| 5547 | +! send the solutions to the rank 0 processor | |
| 5548 | +! | |
| 5549 | + call ms_mpi(mpi_command='barrier') | |
| 5550 | + if(grank.eq.0) then | |
| 5551 | + if(rank.ne.0) then | |
| 5552 | + l=lindex(isoln+rgrank) | |
| 5553 | + nblk=l*(l+2) | |
| 5554 | + nsend=2*nblk | |
| 5555 | + call ms_mpi(mpi_command='send',mpi_send_buf_dc=amnp0group(1,1,rgrank),& | |
| 5556 | + mpi_number=nsend,mpi_rank=0,mpi_comm=root_group_comm) | |
| 5557 | + call ms_mpi(mpi_command='send',mpi_send_buf_dp=qextgroup(1,rgrank),& | |
| 5558 | + mpi_number=nsphere,mpi_rank=0,mpi_comm=root_group_comm) | |
| 5559 | + call ms_mpi(mpi_command='send',mpi_send_buf_dp=qabsgroup(1,rgrank),& | |
| 5560 | + mpi_number=nsphere,mpi_rank=0,mpi_comm=root_group_comm) | |
| 5561 | + call ms_mpi(mpi_command='send',mpi_send_buf_dp=qscagroup(1,rgrank),& | |
| 5562 | + mpi_number=nsphere,mpi_rank=0,mpi_comm=root_group_comm) | |
| 5563 | + else | |
| 5564 | + do igroup=1,ngroup-1 | |
| 5565 | + l=lindex(isoln+igroup) | |
| 5566 | + nblk=l*(l+2) | |
| 5567 | + nsend=2*nblk | |
| 5568 | + call ms_mpi(mpi_command='recv',mpi_recv_buf_dc=amnp0group(1,1,igroup),& | |
| 5569 | + mpi_number=nsend,mpi_rank=igroup,mpi_comm=root_group_comm) | |
| 5570 | + call ms_mpi(mpi_command='recv',mpi_recv_buf_dp=qextgroup(1,igroup),& | |
| 5571 | + mpi_number=nsphere,mpi_rank=igroup,mpi_comm=root_group_comm) | |
| 5572 | + call ms_mpi(mpi_command='recv',mpi_recv_buf_dp=qabsgroup(1,igroup),& | |
| 5573 | + mpi_number=nsphere,mpi_rank=igroup,mpi_comm=root_group_comm) | |
| 5574 | + call ms_mpi(mpi_command='recv',mpi_recv_buf_dp=qscagroup(1,igroup),& | |
| 5575 | + mpi_number=nsphere,mpi_rank=igroup,mpi_comm=root_group_comm) | |
| 5576 | + enddo | |
| 5577 | + endif | |
| 5578 | + endif | |
| 5579 | + call ms_mpi(mpi_command='barrier') | |
| 5580 | +! | |
| 5581 | +! write results, check for convergence | |
| 5582 | +! | |
| 5583 | + if(rank.eq.0) then | |
| 5584 | + do igroup=0,ngroup-1 | |
| 5585 | + l=lindex(isoln+igroup) | |
| 5586 | + k=kindex(isoln+igroup) | |
| 5587 | + q=mod(isoln+igroup-1,2)+1 | |
| 5588 | + qextl=qextl+qextgroup(1:nsphere,igroup) | |
| 5589 | + qabsl=qabsl+qabsgroup(1:nsphere,igroup) | |
| 5590 | + qscal=qscal+qscagroup(1:nsphere,igroup) | |
| 5591 | + qext=qext+qextgroup(1:nsphere,igroup) | |
| 5592 | + qabs=qabs+qabsgroup(1:nsphere,igroup) | |
| 5593 | + qsca=qsca+qscagroup(1:nsphere,igroup) | |
| 5594 | + write(3,'(3i5)') l,k,q | |
| 5595 | + do n=1,l | |
| 5596 | + do m=-n,n | |
| 5597 | + mn=n*(n+1)+m | |
| 5598 | + write(3,'(2i5,4e17.9)') n,m,amnp0group(1,mn,igroup), & | |
| 5599 | + amnp0group(2,mn,igroup) | |
| 5600 | + enddo | |
| 5601 | + enddo | |
| 5602 | + if(istart.eq.1.and.igroup.eq.0) then | |
| 5603 | + time1=mytime()-timeorder | |
| 5604 | + call timewrite(iunit,' time per group solution:',time1) | |
| 5605 | + time2=time1*dble(numsolns-isolnstart)/dble(ngroup) | |
| 5606 | + call timewrite(iunit,' estimated t matrix calcuation time:',time2) | |
| 5607 | + write(iunit,'('' n # its qext qabs'',& | |
| 5608 | + &'' qsca error est. time rem.'')') | |
| 5609 | + call flush(iunit) | |
| 5610 | + istart=0 | |
| 5611 | + endif | |
| 5612 | + if(igroup.eq.0) then | |
| 5613 | + timeorder=mytime()-timeorder | |
| 5614 | + time2=timeorder*dble(numsolns-isoln)/dble(ngroup) | |
| 5615 | + if(time2.gt.3600.d0) then | |
| 5616 | + time2=time2/3600.d0 | |
| 5617 | + timeunit=' hrs' | |
| 5618 | + elseif(time2.gt.60.d0) then | |
| 5619 | + time2=time2/60.d0 | |
| 5620 | + timeunit=' min' | |
| 5621 | + else | |
| 5622 | + timeunit=' sec' | |
| 5623 | + endif | |
| 5624 | + endif | |
| 5625 | + iexit(1)=0 | |
| 5626 | + if(k.eq.l.and.q.eq.2) then | |
| 5627 | + qexttot=0.d0 | |
| 5628 | + qabstot=0.d0 | |
| 5629 | + do i=1,nsphere | |
| 5630 | + qexttot=qexttot+qext(i)*xsp(i)*xsp(i)/xv/xv | |
| 5631 | + qabstot=qabstot+qabs(i)*xsp(i)*xsp(i)/xv/xv | |
| 5632 | + write(3,'(i5,3e17.9)') i,qextl(i),qabsl(i),qscal(i) | |
| 5633 | + enddo | |
| 5634 | + qextl=0.d0 | |
| 5635 | + qabsl=0.d0 | |
| 5636 | + qscal=0.d0 | |
| 5637 | + qscatot=qexttot-qabstot | |
| 5638 | + errqe=qexttot-qextold(1) | |
| 5639 | + errqs=qscatot-qscaold(1) | |
| 5640 | + err=max(errqe,errqs) | |
| 5641 | + write(iunit,'(i4,i5,4e13.5,f8.2,a4)') l,iter,qexttot,qabstot, & | |
| 5642 | + qscatot,err,time2,timeunit | |
| 5643 | + call flush(iunit) | |
| 5644 | + qextold(1)=qexttot | |
| 5645 | + qscaold(1)=qscatot | |
| 5646 | + if(err.le.epscon) iexit(1)=1 | |
| 5647 | + endif | |
| 5648 | + if(iexit(1).eq.1) then | |
| 5649 | + nodrt=l | |
| 5650 | + exit | |
| 5651 | + endif | |
| 5652 | + enddo | |
| 5653 | + endif | |
| 5654 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_i=iexit,mpi_number=1,mpi_rank=0) | |
| 5655 | + call ms_mpi(mpi_command='barrier') | |
| 5656 | + if(iexit(1).eq.1) then | |
| 5657 | +! | |
| 5658 | +! solution has converged | |
| 5659 | +! | |
| 5660 | + deallocate(amnp0group,qextgroup,qabsgroup,qscagroup,lindex,kindex,ac,amnp0) | |
| 5661 | + nodrta(1)=nodrt | |
| 5662 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_i=nodrta,mpi_number=1,mpi_rank=0) | |
| 5663 | + nodrt=nodrta(1) | |
| 5664 | + if(rank.eq.0) then | |
| 5665 | + write(iunit,'('' T matrix converged, order:'',i5)') nodrt | |
| 5666 | + close(3) | |
| 5667 | + open(3,file=tmatrixfile,form='formatted',access='direct',recl=4) | |
| 5668 | + write(3,'(i4)',rec=1) nodrt | |
| 5669 | + close(3) | |
| 5670 | + endif | |
| 5671 | + return | |
| 5672 | + endif | |
| 5673 | + enddo | |
| 5674 | + deallocate(amnp0group,qextgroup,qabsgroup,qscagroup,lindex,kindex,ac,amnp0) | |
| 5675 | + if(rank.eq.0) then | |
| 5676 | + write(*,'('' T matrix did not converge to set epsilon'')') | |
| 5677 | + close(3) | |
| 5678 | + endif | |
| 5679 | + end subroutine tmatrixsoln | |
| 5680 | +! | |
| 5681 | +! solution of interaction equations for a fixed orientation | |
| 5682 | +! | |
| 5683 | +! | |
| 5684 | +! original: 15 January 2011 | |
| 5685 | +! revised: 21 February 2011: modification of efficiency calculation, to calculate | |
| 5686 | +! polarized components | |
| 5687 | +! 30 March 2011: took out gbfocus argument: this is not needed since positions are defined | |
| 5688 | +! relative to the gb focus. | |
| 5689 | +! 20 April 2011: used 2-group MPI formulation | |
| 5690 | +! | |
| 5691 | + subroutine fixedorsoln(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,& | |
| 5692 | + eps,epstran,niter,amnp,qext,qabs,qsca,maxerr,maxiter,iterwrite, & | |
| 5693 | + fftranpresent,niterstep,istat) | |
| 5694 | + use mpidefs | |
| 5695 | + use mpidata | |
| 5696 | + use intrinsics | |
| 5697 | + use numconstants | |
| 5698 | + use specialfuncs | |
| 5699 | + use miecoefdata | |
| 5700 | + use translation | |
| 5701 | + use scatprops | |
| 5702 | + implicit none | |
| 5703 | + integer :: iter,niter,neqns,nodrmax,k,nsphere,i,ierr,istat,rank,maxiter,iterwrite | |
| 5704 | + integer :: nodr(nsphere),m1,n1,p,rgrank,grank,ngroup,sendrank,numprocs, & | |
| 5705 | + fftranpresent,niterstep | |
| 5706 | + real(8) :: alpha,beta,eps,err,qext(nsphere,3),maxerr,& | |
| 5707 | + qabs(nsphere,3),qsca(nsphere,3),cbeam,gbfocus(3),epstran | |
| 5708 | + real(8) :: xsp(nsphere), rpos(3,nsphere),maxerra(1) | |
| 5709 | + complex(8) :: amnp(neqns,2) | |
| 5710 | + complex(8), allocatable :: pmnp(:,:),pmnpan(:) | |
| 5711 | + rank=base_rank | |
| 5712 | + rgrank=root_group_rank | |
| 5713 | + grank=group_rank | |
| 5714 | + ngroup=number_groups | |
| 5715 | + numprocs=number_proc | |
| 5716 | + sendrank=numprocs/2 | |
| 5717 | + nodrmax=maxval(nodr) | |
| 5718 | + allocate(pmnp(neqns,2)) | |
| 5719 | + gbfocus=0.d0 | |
| 5720 | + if(cbeam.eq.0.d0) then | |
| 5721 | + call sphereplanewavecoef(nsphere,neqns,nodr,nodrmax,alpha,beta,rpos,pmnp) | |
| 5722 | + else | |
| 5723 | + call spheregaussianbeamcoef(nsphere,neqns,nodr,alpha,beta,cbeam, & | |
| 5724 | + rpos,gbfocus,epstran,pmnp) | |
| 5725 | + endif | |
| 5726 | + istat=0 | |
| 5727 | + maxiter=0 | |
| 5728 | + maxerr=0. | |
| 5729 | +! | |
| 5730 | +! calculate the two solutions | |
| 5731 | +! | |
| 5732 | + allocate(pmnpan(neqns)) | |
| 5733 | + if(ngroup.eq.1) then | |
| 5734 | + do k=1,2 | |
| 5735 | + call miecoeffmult(1,nsphere,neqns,pmnp(1,k),pmnpan) | |
| 5736 | + amnp(1:neqns,k)=pmnpan(1:neqns) | |
| 5737 | + if(fftranpresent.eq.1) then | |
| 5738 | + call cbicgff(neqns,nsphere,niter,eps,pmnpan,amnp(1,k),iterwrite, & | |
| 5739 | + niterstep,iter,err) | |
| 5740 | + else | |
| 5741 | + call cbicg(neqns,nsphere,niter,eps,pmnpan,amnp(1,k),iterwrite, & | |
| 5742 | + iter,err) | |
| 5743 | + endif | |
| 5744 | + maxiter=max(iter,maxiter) | |
| 5745 | + maxerr=max(err,maxerr) | |
| 5746 | + if(iter.gt.niter.or.err.gt.eps) istat=1 | |
| 5747 | + call ms_mpi(mpi_command='barrier') | |
| 5748 | + enddo | |
| 5749 | + else | |
| 5750 | + k=rgrank+1 | |
| 5751 | + call miecoeffmult(1,nsphere,neqns,pmnp(1,k),pmnpan) | |
| 5752 | + amnp(1:neqns,k)=pmnpan(1:neqns) | |
| 5753 | + if(fftranpresent.eq.1) then | |
| 5754 | + call cbicgff(neqns,nsphere,niter,eps,pmnpan,amnp(1,k),iterwrite, & | |
| 5755 | + niterstep,iter,err) | |
| 5756 | + else | |
| 5757 | + call cbicg(neqns,nsphere,niter,eps,pmnpan,amnp(1,k),iterwrite, & | |
| 5758 | + iter,err) | |
| 5759 | + endif | |
| 5760 | + maxiter=max(iter,maxiter) | |
| 5761 | + maxerr=max(err,maxerr) | |
| 5762 | + call ms_mpi(mpi_command='barrier') | |
| 5763 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=amnp(1,2),& | |
| 5764 | + mpi_number=neqns,mpi_rank=sendrank) | |
| 5765 | + endif | |
| 5766 | + deallocate(pmnpan) | |
| 5767 | +! | |
| 5768 | +! efficiency factor calculations | |
| 5769 | +! | |
| 5770 | + call sphereqeff(nsphere,neqns,nodr,nodrmax,xsp,amnp(1,1),amnp(1,1), & | |
| 5771 | + pmnp(1,1),pmnp(1,1),qext(1,1),qabs(1,1),qsca(1,1)) | |
| 5772 | + call sphereqeff(nsphere,neqns,nodr,nodrmax,xsp,amnp(1,2),amnp(1,2), & | |
| 5773 | + pmnp(1,2),pmnp(1,2),qext(1,2),qabs(1,2),qsca(1,2)) | |
| 5774 | + call sphereqeff(nsphere,neqns,nodr,nodrmax,xsp,amnp(1,1),amnp(1,2), & | |
| 5775 | + pmnp(1,1),pmnp(1,2),qext(1,3),qabs(1,3),qsca(1,3)) | |
| 5776 | + call ms_mpi(mpi_command='barrier') | |
| 5777 | + deallocate(pmnp) | |
| 5778 | + end subroutine fixedorsoln | |
| 5779 | +! | |
| 5780 | +! hybrid bcgm, using far field translation | |
| 5781 | +! november 2011 | |
| 5782 | +! | |
| 5783 | + subroutine cbicgff(neqns,nsphere,niter,eps,pnp,anp,iterwrite,niterstep,iter,err) | |
| 5784 | + use mpidefs | |
| 5785 | + use mpidata | |
| 5786 | + use intrinsics | |
| 5787 | + use spheredata | |
| 5788 | + use miecoefdata | |
| 5789 | + use numconstants | |
| 5790 | + use specialfuncs | |
| 5791 | + use translation | |
| 5792 | + implicit none | |
| 5793 | + integer :: neqns,niter,iter,nsphere,writetime,nodr(nsphere),noff(nsphere+1),& | |
| 5794 | + nblk(nsphere),rank,ierr,iexit,i,j,m,n,p,iunit,iterwrite,ip1,ip2, & | |
| 5795 | + np1,np2,nsend,numprocs,grank,istore,itermax,istep,niterstep | |
| 5796 | + real(8) :: eps,err,erra(1),enorm,time1,time2,epsstep,errstep | |
| 5797 | + complex(8) :: pnp(neqns),anp(neqns),gnp(neqns),gnpold(neqns),pgnp(neqns), & | |
| 5798 | + cr(neqns) | |
| 5799 | + data writetime/0/ | |
| 5800 | + rank=base_rank | |
| 5801 | + grank=group_rank | |
| 5802 | + numprocs=proc_per_group | |
| 5803 | + call getmiedata(sphere_order=nodr,sphere_block=nblk,sphere_block_offset=noff) | |
| 5804 | + if(rank.eq.0) then | |
| 5805 | + call getrunparameters(run_print_unit=iunit) | |
| 5806 | + endif | |
| 5807 | + err=0.d0 | |
| 5808 | + iter=0 | |
| 5809 | + enorm=dot_product(pnp,pnp) | |
| 5810 | + gnpold=0.d0 | |
| 5811 | + if(enorm.eq.0.d0) return | |
| 5812 | + gnp=0.d0 | |
| 5813 | + ip1=mpi_sphere_index(grank)+1 | |
| 5814 | + ip2=mpi_sphere_index(grank)+mpi_sphere_number(grank) | |
| 5815 | + do i=ip1,ip2 | |
| 5816 | + do j=1,nsphere | |
| 5817 | + if(i.ne.j) then | |
| 5818 | + call fftranslationerror(anp(noff(j)+1:noff(j)+nblk(j)), & | |
| 5819 | + gnp(noff(i)+1:noff(i)+nblk(i)),j,i,nodr(j),nodr(i)) | |
| 5820 | + endif | |
| 5821 | + enddo | |
| 5822 | + enddo | |
| 5823 | + do i=0,numprocs-1 | |
| 5824 | + ip1=mpi_sphere_index(i)+1 | |
| 5825 | + ip2=mpi_sphere_index(i)+mpi_sphere_number(i) | |
| 5826 | + np1=noff(ip1)+1 | |
| 5827 | + np2=noff(ip2)+nblk(ip2) | |
| 5828 | + nsend=np2-np1+1 | |
| 5829 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=gnp(np1:np2),mpi_number=nsend, & | |
| 5830 | + mpi_rank=i,mpi_comm=group_comm) | |
| 5831 | + enddo | |
| 5832 | + call miecoeffmult(1,nsphere,neqns,gnp,gnp) | |
| 5833 | + | |
| 5834 | + iter=0 | |
| 5835 | + epsstep=eps | |
| 5836 | + istep=0 | |
| 5837 | + do | |
| 5838 | + istep=istep+1 | |
| 5839 | + gnpold=gnp | |
| 5840 | + pgnp=pnp+gnp | |
| 5841 | + call cbicg(neqns,nsphere,niterstep,epsstep,pgnp,anp,0,itermax,errstep) | |
| 5842 | + iter=iter+min(itermax,niterstep) | |
| 5843 | + gnp=0.d0 | |
| 5844 | + ip1=mpi_sphere_index(grank)+1 | |
| 5845 | + ip2=mpi_sphere_index(grank)+mpi_sphere_number(grank) | |
| 5846 | + do i=ip1,ip2 | |
| 5847 | + do j=1,nsphere | |
| 5848 | + if(i.ne.j) then | |
| 5849 | + call fftranslationerror(anp(noff(j)+1:noff(j)+nblk(j)), & | |
| 5850 | + gnp(noff(i)+1:noff(i)+nblk(i)),j,i,nodr(j),nodr(i)) | |
| 5851 | + endif | |
| 5852 | + enddo | |
| 5853 | + enddo | |
| 5854 | + do i=0,numprocs-1 | |
| 5855 | + ip1=mpi_sphere_index(i)+1 | |
| 5856 | + ip2=mpi_sphere_index(i)+mpi_sphere_number(i) | |
| 5857 | + np1=noff(ip1)+1 | |
| 5858 | + np2=noff(ip2)+nblk(ip2) | |
| 5859 | + nsend=np2-np1+1 | |
| 5860 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=gnp(np1:np2),mpi_number=nsend, & | |
| 5861 | + mpi_rank=i,mpi_comm=group_comm) | |
| 5862 | + enddo | |
| 5863 | + call miecoeffmult(1,nsphere,neqns,gnp,gnp) | |
| 5864 | + err=dot_product(gnp-gnpold,gnp-gnpold)/enorm | |
| 5865 | + if(rank.eq.0.and.iterwrite.eq.1) then | |
| 5866 | + write(iunit,'('' step,iteration,bcgm err,correc err:'',2i5,2e13.5)') & | |
| 5867 | + istep,iter,errstep,err | |
| 5868 | + call flush(iunit) | |
| 5869 | + endif | |
| 5870 | + epsstep=eps | |
| 5871 | + err=max(err,errstep) | |
| 5872 | + if((err.lt.eps).or.iter.gt.niter) exit | |
| 5873 | + enddo | |
| 5874 | + end subroutine cbicgff | |
| 5875 | + | |
| 5876 | +! | |
| 5877 | +! iteration solver | |
| 5878 | +! generalized complex biconjugate gradient method | |
| 5879 | +! original code: Piotr Flatau, although not much remains. | |
| 5880 | +! specialized to the multiple sphere problem | |
| 5881 | +! | |
| 5882 | +! | |
| 5883 | +! last revised: 15 January 2011 | |
| 5884 | +! october 2011: translation calls modified | |
| 5885 | +! | |
| 5886 | + subroutine cbicg(neqns,nsphere,niter,eps,pnp,anp,iterwrite,iter,err) | |
| 5887 | + use mpidefs | |
| 5888 | + use mpidata | |
| 5889 | + use intrinsics | |
| 5890 | + use spheredata | |
| 5891 | + use miecoefdata | |
| 5892 | + use numconstants | |
| 5893 | + use specialfuncs | |
| 5894 | + use translation | |
| 5895 | + implicit none | |
| 5896 | + integer :: neqns,niter,iter,nsphere,writetime,nodr(nsphere),noff(nsphere+1),& | |
| 5897 | + nblk(nsphere),rank,ierr,iexit,i,j,m,n,p,iunit,iterwrite,ip1,ip2, & | |
| 5898 | + np1,np2,nsend,numprocs,grank,istore | |
| 5899 | + real(8) :: eps,err,erra(1),enorm,time1,time2 | |
| 5900 | + complex(8) :: pnp(neqns),anp(neqns) | |
| 5901 | + complex(8) :: cak(1),csk,cbk,csk2(1) | |
| 5902 | + complex(8) :: cr(neqns),cp(neqns),cw(neqns),cq(neqns),cap(neqns),caw(neqns), & | |
| 5903 | + crt(neqns),capt(neqns),cawt(neqns),ccw(neqns) | |
| 5904 | + data writetime/0/ | |
| 5905 | + rank=base_rank | |
| 5906 | + grank=group_rank | |
| 5907 | + numprocs=proc_per_group | |
| 5908 | + call getmiedata(sphere_order=nodr,sphere_block=nblk,sphere_block_offset=noff) | |
| 5909 | + ip1=mpi_sphere_index(grank)+1 | |
| 5910 | + ip2=mpi_sphere_index(grank)+mpi_sphere_number(grank) | |
| 5911 | + np1=noff(ip1)+1 | |
| 5912 | + np2=noff(ip2)+nblk(ip2) | |
| 5913 | + nsend=np2-np1+1 | |
| 5914 | + crt=0.d0 | |
| 5915 | + iexit=0 | |
| 5916 | + if(rank.eq.0) then | |
| 5917 | + call getrunparameters(run_print_unit=iunit) | |
| 5918 | + endif | |
| 5919 | + err=0.d0 | |
| 5920 | + iter=0 | |
| 5921 | + enorm=dot_product(pnp,pnp) | |
| 5922 | + cr=0.d0 | |
| 5923 | + if(enorm.eq.0.d0) return | |
| 5924 | + do i=ip1,ip2 | |
| 5925 | + do j=1,nsphere | |
| 5926 | + if(i.ne.j) then | |
| 5927 | + call rottranjtoi(anp(noff(j)+1:noff(j)+nblk(j)), & | |
| 5928 | + cr(noff(i)+1:noff(i)+nblk(i)),j,i,nodr(j),nodr(i),1,1) | |
| 5929 | + endif | |
| 5930 | + enddo | |
| 5931 | + enddo | |
| 5932 | + do i=0,numprocs-1 | |
| 5933 | + ip1=mpi_sphere_index(i)+1 | |
| 5934 | + ip2=mpi_sphere_index(i)+mpi_sphere_number(i) | |
| 5935 | + np1=noff(ip1)+1 | |
| 5936 | + np2=noff(ip2)+nblk(ip2) | |
| 5937 | + nsend=np2-np1+1 | |
| 5938 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=cr(np1:np2),mpi_number=nsend, & | |
| 5939 | + mpi_rank=i,mpi_comm=group_comm) | |
| 5940 | + enddo | |
| 5941 | + call miecoeffmult(1,nsphere,neqns,cr,cr) | |
| 5942 | + cr=pnp-anp+cr | |
| 5943 | + cq=conjg(cr) | |
| 5944 | + cw=cq | |
| 5945 | + cp=cr | |
| 5946 | + csk=dot_product(conjg(cr),cr) | |
| 5947 | + if(cdabs(csk).eq.0.d0) return | |
| 5948 | +! | |
| 5949 | +! here starts the main iteration loop | |
| 5950 | +! | |
| 5951 | + do iter=1,niter | |
| 5952 | + ip1=mpi_sphere_index(grank)+1 | |
| 5953 | + ip2=mpi_sphere_index(grank)+mpi_sphere_number(grank) | |
| 5954 | + np1=noff(ip1)+1 | |
| 5955 | + np2=noff(ip2)+nblk(ip2) | |
| 5956 | + nsend=np2-np1+1 | |
| 5957 | + cak(1)=(0.d0,0.d0) | |
| 5958 | + cawt=(0.d0,0.d0) | |
| 5959 | + capt=(0.d0,0.d0) | |
| 5960 | + if(rank.eq.0) then | |
| 5961 | + if(writetime.eq.0) time1=mytime() | |
| 5962 | + endif | |
| 5963 | + ccw=conjg(cw) | |
| 5964 | + cap=0.d0 | |
| 5965 | + caw=0.d0 | |
| 5966 | + call miecoeffmult(1,nsphere,neqns,ccw,ccw) | |
| 5967 | + do i=ip1,ip2 | |
| 5968 | + do j=1,nsphere | |
| 5969 | + if(i.ne.j) then | |
| 5970 | + call rottrantwojtoi(cp(noff(j)+1:noff(j)+nblk(j)), & | |
| 5971 | + ccw(noff(j)+1:noff(j)+nblk(j)), & | |
| 5972 | + cap(noff(i)+1:noff(i)+nblk(i)), & | |
| 5973 | + caw(noff(i)+1:noff(i)+nblk(i)), & | |
| 5974 | + j,i,nodr(j),nodr(i)) | |
| 5975 | +! call rottranjtoi(cp(noff(j)+1:noff(j)+nblk(j)), & | |
| 5976 | +! cap(noff(i)+1:noff(i)+nblk(i)),j,i,nodr(j),nodr(i),1,1) | |
| 5977 | +! call rottranjtoi(ccw(noff(j)+1:noff(j)+nblk(j)), & | |
| 5978 | +! caw(noff(i)+1:noff(i)+nblk(i)),j,i,nodr(j),nodr(i),-1,-1) | |
| 5979 | + endif | |
| 5980 | + enddo | |
| 5981 | + enddo | |
| 5982 | + call miecoeffmult(ip1,ip2,neqns,cap,cap) | |
| 5983 | + cap(np1:np2)=cp(np1:np2)-cap(np1:np2) | |
| 5984 | + caw(np1:np2)=cw(np1:np2)-conjg(caw(np1:np2)) | |
| 5985 | + cak(1)=dot_product(cw(np1:np2),cap(np1:np2)) | |
| 5986 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dc=cak,mpi_number=1, & | |
| 5987 | + mpi_operation=ms_mpi_sum,mpi_comm=group_comm) | |
| 5988 | + cak(1)=csk/cak(1) | |
| 5989 | + anp(np1:np2)=anp(np1:np2)+cak(1)*cp(np1:np2) | |
| 5990 | + cr(np1:np2)=cr(np1:np2)-cak(1)*cap(np1:np2) | |
| 5991 | + cq(np1:np2)=cq(np1:np2)-conjg(cak(1))*caw(np1:np2) | |
| 5992 | + csk2(1)=dot_product(cq(np1:np2),cr(np1:np2)) | |
| 5993 | + err=dot_product(cr(np1:np2),cr(np1:np2)) | |
| 5994 | + erra(1)=err | |
| 5995 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dc=csk2,mpi_number=1, & | |
| 5996 | + mpi_operation=ms_mpi_sum,mpi_comm=group_comm) | |
| 5997 | + call ms_mpi(mpi_command='allreduce',mpi_recv_buf_dp=erra,mpi_number=1, & | |
| 5998 | + mpi_operation=ms_mpi_sum,mpi_comm=group_comm) | |
| 5999 | + err=erra(1) | |
| 6000 | + err=err/enorm | |
| 6001 | + if(err.lt. eps) exit | |
| 6002 | + cbk=csk2(1)/csk | |
| 6003 | + cp(np1:np2)=cr(np1:np2)+cbk*cp(np1:np2) | |
| 6004 | + cw(np1:np2)=cq(np1:np2)+conjg(cbk)*cw(np1:np2) | |
| 6005 | + csk=csk2(1) | |
| 6006 | + do i=0,numprocs-1 | |
| 6007 | + ip1=mpi_sphere_index(i)+1 | |
| 6008 | + ip2=mpi_sphere_index(i)+mpi_sphere_number(i) | |
| 6009 | + np1=noff(ip1)+1 | |
| 6010 | + np2=noff(ip2)+nblk(ip2) | |
| 6011 | + nsend=np2-np1+1 | |
| 6012 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=cp(np1:np2),mpi_number=nsend, & | |
| 6013 | + mpi_rank=i,mpi_comm=group_comm) | |
| 6014 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=cw(np1:np2),mpi_number=nsend, & | |
| 6015 | + mpi_rank=i,mpi_comm=group_comm) | |
| 6016 | + enddo | |
| 6017 | + if(rank.eq.0.and.iter.eq.1.and.writetime.eq.0) then | |
| 6018 | + time2=mytime()-time1 | |
| 6019 | + call timewrite(iunit,' time per iteration:',time2) | |
| 6020 | + writetime=1 | |
| 6021 | + endif | |
| 6022 | + if(rank.eq.0.and.iterwrite.eq.1) then | |
| 6023 | + write(iunit,'('' iter, err:'',i5,e13.5)') iter,err | |
| 6024 | + call flush(iunit) | |
| 6025 | + endif | |
| 6026 | + enddo | |
| 6027 | +! | |
| 6028 | +! arrive here with a converged solution | |
| 6029 | +! | |
| 6030 | + do i=0,numprocs-1 | |
| 6031 | + ip1=mpi_sphere_index(i)+1 | |
| 6032 | + ip2=mpi_sphere_index(i)+mpi_sphere_number(i) | |
| 6033 | + np1=noff(ip1)+1 | |
| 6034 | + np2=noff(ip2)+nblk(ip2) | |
| 6035 | + nsend=np2-np1+1 | |
| 6036 | + call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=anp(np1:np2),mpi_number=nsend, & | |
| 6037 | + mpi_rank=i,mpi_comm=group_comm) | |
| 6038 | + enddo | |
| 6039 | + end subroutine cbicg | |
| 6040 | + | |
| 6041 | + end module solver | ... | ... |
No preview for this file type
| 1 | +++ a/mstm_guiwindow.ui | |
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| 2 | +<ui version="4.0"> | |
| 3 | + <class>mstmGui</class> | |
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| 13 | + <property name="windowTitle"> | |
| 14 | + <string>Spectral Multi-Sphere T-Matrix Simulation</string> | |
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| 16 | + <widget class="QWidget" name="centralwidget"> | |
| 17 | + <widget class="QPushButton" name="btnSimulate"> | |
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| 27 | + <string>Simulate</string> | |
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| 30 | + <widget class="QLabel" name="label_7"> | |
| 31 | + <property name="geometry"> | |
| 32 | + <rect> | |
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| 38 | + </property> | |
| 39 | + <property name="text"> | |
| 40 | + <string>Material</string> | |
| 41 | + </property> | |
| 42 | + <property name="alignment"> | |
| 43 | + <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set> | |
| 44 | + </property> | |
| 45 | + </widget> | |
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| 96 | + </widget> | |
| 97 | + <widget class="QLabel" name="label_3"> | |
| 98 | + <property name="geometry"> | |
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| 100 | + <x>10</x> | |
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| 104 | + </rect> | |
| 105 | + </property> | |
| 106 | + <property name="text"> | |
| 107 | + <string># Samples</string> | |
| 108 | + </property> | |
| 109 | + <property name="alignment"> | |
| 110 | + <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set> | |
| 111 | + </property> | |
| 112 | + </widget> | |
| 113 | + <widget class="QLabel" name="label_2"> | |
| 114 | + <property name="geometry"> | |
| 115 | + <rect> | |
| 116 | + <x>10</x> | |
| 117 | + <y>30</y> | |
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| 119 | + <height>21</height> | |
| 120 | + </rect> | |
| 121 | + </property> | |
| 122 | + <property name="text"> | |
| 123 | + <string>Wavelengths(um)</string> | |
| 124 | + </property> | |
| 125 | + <property name="alignment"> | |
| 126 | + <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set> | |
| 127 | + </property> | |
| 128 | + </widget> | |
| 129 | + <widget class="QLabel" name="label"> | |
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| 131 | + <rect> | |
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| 137 | + </property> | |
| 138 | + <property name="text"> | |
| 139 | + <string>to</string> | |
| 140 | + </property> | |
| 141 | + </widget> | |
| 142 | + <widget class="QDoubleSpinBox" name="spinEndLambda"> | |
| 143 | + <property name="geometry"> | |
| 144 | + <rect> | |
| 145 | + <x>250</x> | |
| 146 | + <y>30</y> | |
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| 166 | + </rect> | |
| 167 | + </property> | |
| 168 | + <property name="title"> | |
| 169 | + <string>Spheres (currently only dimers)</string> | |
| 170 | + </property> | |
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| 172 | + <property name="geometry"> | |
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| 178 | + </rect> | |
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| 181 | + <string>um</string> | |
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| 190 | + <height>21</height> | |
| 191 | + </rect> | |
| 192 | + </property> | |
| 193 | + <property name="text"> | |
| 194 | + <string>Sphere Spacing</string> | |
| 195 | + </property> | |
| 196 | + <property name="alignment"> | |
| 197 | + <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set> | |
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| 200 | + <widget class="QLabel" name="label_4"> | |
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| 207 | + </rect> | |
| 208 | + </property> | |
| 209 | + <property name="text"> | |
| 210 | + <string># Spheres</string> | |
| 211 | + </property> | |
| 212 | + <property name="alignment"> | |
| 213 | + <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set> | |
| 214 | + </property> | |
| 215 | + </widget> | |
| 216 | + <widget class="QDoubleSpinBox" name="spinSpacing"> | |
| 217 | + <property name="geometry"> | |
| 218 | + <rect> | |
| 219 | + <x>120</x> | |
| 220 | + <y>60</y> | |
| 221 | + <width>91</width> | |
| 222 | + <height>22</height> | |
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| 224 | + </property> | |
| 225 | + <property name="decimals"> | |
| 226 | + <number>4</number> | |
| 227 | + </property> | |
| 228 | + <property name="singleStep"> | |
| 229 | + <double>0.001000000000000</double> | |
| 230 | + </property> | |
| 231 | + </widget> | |
| 232 | + <widget class="QSpinBox" name="spinNumSpheres"> | |
| 233 | + <property name="enabled"> | |
| 234 | + <bool>false</bool> | |
| 235 | + </property> | |
| 236 | + <property name="geometry"> | |
| 237 | + <rect> | |
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| 239 | + <y>30</y> | |
| 240 | + <width>55</width> | |
| 241 | + <height>22</height> | |
| 242 | + </rect> | |
| 243 | + </property> | |
| 244 | + </widget> | |
| 245 | + </widget> | |
| 246 | + <widget class="QGroupBox" name="groupBox_3"> | |
| 247 | + <property name="geometry"> | |
| 248 | + <rect> | |
| 249 | + <x>10</x> | |
| 250 | + <y>250</y> | |
| 251 | + <width>361</width> | |
| 252 | + <height>111</height> | |
| 253 | + </rect> | |
| 254 | + </property> | |
| 255 | + <property name="title"> | |
| 256 | + <string>Incident Light Parameters</string> | |
| 257 | + </property> | |
| 258 | + <widget class="QLabel" name="label_8"> | |
| 259 | + <property name="geometry"> | |
| 260 | + <rect> | |
| 261 | + <x>20</x> | |
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| 263 | + <width>91</width> | |
| 264 | + <height>21</height> | |
| 265 | + </rect> | |
| 266 | + </property> | |
| 267 | + <property name="text"> | |
| 268 | + <string>alpha (deg.)</string> | |
| 269 | + </property> | |
| 270 | + <property name="alignment"> | |
| 271 | + <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set> | |
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| 273 | + </widget> | |
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| 277 | + <x>120</x> | |
| 278 | + <y>20</y> | |
| 279 | + <width>91</width> | |
| 280 | + <height>22</height> | |
| 281 | + </rect> | |
| 282 | + </property> | |
| 283 | + <property name="decimals"> | |
| 284 | + <number>3</number> | |
| 285 | + </property> | |
| 286 | + <property name="singleStep"> | |
| 287 | + <double>0.100000000000000</double> | |
| 288 | + </property> | |
| 289 | + </widget> | |
| 290 | + <widget class="QLabel" name="label_9"> | |
| 291 | + <property name="geometry"> | |
| 292 | + <rect> | |
| 293 | + <x>20</x> | |
| 294 | + <y>50</y> | |
| 295 | + <width>91</width> | |
| 296 | + <height>21</height> | |
| 297 | + </rect> | |
| 298 | + </property> | |
| 299 | + <property name="text"> | |
| 300 | + <string>beta (deg.)</string> | |
| 301 | + </property> | |
| 302 | + <property name="alignment"> | |
| 303 | + <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set> | |
| 304 | + </property> | |
| 305 | + </widget> | |
| 306 | + <widget class="QDoubleSpinBox" name="spinBeta"> | |
| 307 | + <property name="geometry"> | |
| 308 | + <rect> | |
| 309 | + <x>120</x> | |
| 310 | + <y>50</y> | |
| 311 | + <width>91</width> | |
| 312 | + <height>22</height> | |
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| 315 | + <property name="decimals"> | |
| 316 | + <number>3</number> | |
| 317 | + </property> | |
| 318 | + <property name="singleStep"> | |
| 319 | + <double>0.100000000000000</double> | |
| 320 | + </property> | |
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| 323 | + </widget> | |
| 324 | + <widget class="QMenuBar" name="menubar"> | |
| 325 | + <property name="geometry"> | |
| 326 | + <rect> | |
| 327 | + <x>0</x> | |
| 328 | + <y>0</y> | |
| 329 | + <width>599</width> | |
| 330 | + <height>22</height> | |
| 331 | + </rect> | |
| 332 | + </property> | |
| 333 | + <widget class="QMenu" name="menuFile"> | |
| 334 | + <property name="title"> | |
| 335 | + <string>File</string> | |
| 336 | + </property> | |
| 337 | + <addaction name="mnuSaveResults"/> | |
| 338 | + <addaction name="mnuLoadMaterial"/> | |
| 339 | + </widget> | |
| 340 | + <addaction name="menuFile"/> | |
| 341 | + </widget> | |
| 342 | + <widget class="QStatusBar" name="statusbar"/> | |
| 343 | + <action name="mnuSaveResults"> | |
| 344 | + <property name="enabled"> | |
| 345 | + <bool>true</bool> | |
| 346 | + </property> | |
| 347 | + <property name="text"> | |
| 348 | + <string>Save Results</string> | |
| 349 | + </property> | |
| 350 | + </action> | |
| 351 | + <action name="mnuLoadMaterial"> | |
| 352 | + <property name="text"> | |
| 353 | + <string>Load Material</string> | |
| 354 | + </property> | |
| 355 | + </action> | |
| 356 | + </widget> | |
| 357 | + <resources/> | |
| 358 | + <connections/> | |
| 359 | +</ui> | ... | ... |
| 1 | +++ a/mstm_materials.py | |
| 1 | +class MaterialSampleClass: | |
| 2 | + | |
| 3 | + #constructor | |
| 4 | + def __init__(self, l, n): | |
| 5 | + self.l = l | |
| 6 | + self.n = n | |
| 7 | + | |
| 8 | + #string conversion | |
| 9 | + def __str__(self): | |
| 10 | + result = "" | |
| 11 | + result += str(self.l) + 'um: ' + str(self.n) | |
| 12 | + return result | |
| 13 | + | |
| 14 | +class MaterialClass: | |
| 15 | + materialList = [] | |
| 16 | + | |
| 17 | + def __init__(self, fileName=""): | |
| 18 | + if fileName == "": | |
| 19 | + materialList = [] | |
| 20 | + else: | |
| 21 | + self.loadFile(fileName) | |
| 22 | + | |
| 23 | + #when the material is cast to a string, create the list of refractive indices | |
| 24 | + def __str__(self): | |
| 25 | + nSamples = len(self.materialList) | |
| 26 | + result = "" | |
| 27 | + for i in range(nSamples): | |
| 28 | + result += str(self.materialList[i]) + '\n' | |
| 29 | + return result | |
| 30 | + | |
| 31 | + def __len__(self): | |
| 32 | + return len(self.materialList) | |
| 33 | + | |
| 34 | + def __getitem__(self, l): | |
| 35 | + bigI = smallI = 0; | |
| 36 | + bigV = 999; | |
| 37 | + smallV = 0; | |
| 38 | + #find the smallest sample larger than l | |
| 39 | + for i in range(len(self.materialList)): | |
| 40 | + if self.materialList[i].l > l and self.materialList[i].l < bigV: | |
| 41 | + bigI = i | |
| 42 | + bigV = self.materialList[i].l | |
| 43 | + if self.materialList[i].l < l and self.materialList[i].l > smallV: | |
| 44 | + smallI = i | |
| 45 | + smallV = self.materialList[i].l | |
| 46 | + | |
| 47 | + a = (l - smallV)/(bigV - smallV) | |
| 48 | + | |
| 49 | + bigN = self.materialList[bigI].n | |
| 50 | + smallN = self.materialList[smallI].n | |
| 51 | + | |
| 52 | + n = a * bigN + (1 - a) * smallN | |
| 53 | + | |
| 54 | + return MaterialSampleClass(l, n) | |
| 55 | + | |
| 56 | + | |
| 57 | + #print(str(self.materialList[smallI].l) + "---" + str(self.materialList[bigI].l)) | |
| 58 | + | |
| 59 | + return self.materialList[smallI] | |
| 60 | + | |
| 61 | + def add(self, l, n): | |
| 62 | + m = MaterialSampleClass(l, n) | |
| 63 | + self.materialList.append(m) | |
| 64 | + | |
| 65 | + def clip(self, minLambda, maxLambda): | |
| 66 | + #this function clips all material samples to the range [minLambda, maxLambda] | |
| 67 | + self.materialList = list(filter(lambda m: m.l > minLambda, self.materialList)) | |
| 68 | + self.materialList = list(filter(lambda m: m.l < maxLambda, self.materialList)) | |
| 69 | + | |
| 70 | + | |
| 71 | + def addSolution(self, n): | |
| 72 | + #places the material in a solution (divide by the solution's n) | |
| 73 | + for i in range(len(self.materialList)): | |
| 74 | + self.materialList[i].n = self.materialList[i].n / n | |
| 75 | + | |
| 76 | + | |
| 77 | + | |
| 78 | + def loadFile(self, fileName): | |
| 79 | + #open the real refractive index file | |
| 80 | + irFID = open(fileName, 'r') | |
| 81 | + #read the first line to get the units (wavelength (um) or wavenumber (cm^2)) | |
| 82 | + lightUnits = irFID.readline().split('\t', 1)[0] | |
| 83 | + | |
| 84 | + #load the material | |
| 85 | + for line in irFID: | |
| 86 | + l, n, k = map(float, line.split("\t")) | |
| 87 | + | |
| 88 | + #if units are in wavenumber, convert to wavelength | |
| 89 | + if lightUnits == "nu": | |
| 90 | + l = l/10000 | |
| 91 | + | |
| 92 | + self.add(l, complex(n, k)) | |
| 93 | + | |
| 94 | + #close the file | |
| 95 | + irFID.close() | ... | ... |
| 1 | +++ a/mstm_parameters.py | |
| 1 | +class ParameterClass: | |
| 2 | + #minimum and maximum wavelengths for the simulation | |
| 3 | + minLambda = 0.300 | |
| 4 | + maxLambda = 0.700 | |
| 5 | + #number of spectral samples | |
| 6 | + nSamples = 40 | |
| 7 | + | |
| 8 | + #material file name | |
| 9 | + matFilename = 'etaSilver.txt' | |
| 10 | + #are the sphere's in water? | |
| 11 | + inWater = False | |
| 12 | + | |
| 13 | + paramDict = {} | |
| 14 | + sphereList = [] | |
| 15 | + | |
| 16 | + sphereParamNames = ['radius', 'X', 'Y', 'Z', 'n', 'k', 'Xr', 'Xi'] | |
| 17 | + | |
| 18 | + def __init__(self, fileName): | |
| 19 | + self.loadFile(fileName) | |
| 20 | + | |
| 21 | + def __getitem__(self, key): | |
| 22 | + return self.paramDict[key]; | |
| 23 | + | |
| 24 | + def __setitem__(self, key, value): | |
| 25 | + self.paramDict[key] = str(value); | |
| 26 | + | |
| 27 | + def clearSpheres(self): | |
| 28 | + self.sphereList = [] | |
| 29 | + | |
| 30 | + def addSphere(self, a, x, y, z, n = 1.0, k=1.0): | |
| 31 | + s = [a, x, y, z, n, k] | |
| 32 | + self.sphereList.append(s) | |
| 33 | + | |
| 34 | + def loadFile(self, fileName): | |
| 35 | + inpFID = open(fileName, 'r') | |
| 36 | + selfparamDict = {} | |
| 37 | + | |
| 38 | + while 1: | |
| 39 | + key = inpFID.readline().strip() | |
| 40 | + | |
| 41 | + #deal with sphere sizes and positions | |
| 42 | + if key == 'sphere_sizes_and_positions': | |
| 43 | + | |
| 44 | + while True: | |
| 45 | + #load the parameters for a sphere | |
| 46 | + value = inpFID.readline().strip() | |
| 47 | + if value == 'end_of_options': | |
| 48 | + break | |
| 49 | + | |
| 50 | + self.sphereList.append(value.split(' ')) | |
| 51 | + | |
| 52 | + | |
| 53 | + elif not key: | |
| 54 | + break | |
| 55 | + elif key == 'end_of_options': | |
| 56 | + break | |
| 57 | + else: | |
| 58 | + value = inpFID.readline().strip() | |
| 59 | + self.paramDict[key] = value | |
| 60 | + | |
| 61 | + inpFID.close() | |
| 62 | + | |
| 63 | + def saveFile(self, fileName): | |
| 64 | + | |
| 65 | + #open the output file | |
| 66 | + outFID = open(fileName, 'w') | |
| 67 | + | |
| 68 | + #write the parameters | |
| 69 | + for key in self.paramDict.keys(): | |
| 70 | + outFID.write(key + '\n') | |
| 71 | + outFID.write(self.paramDict[key] + '\n') | |
| 72 | + | |
| 73 | + #write the spheres | |
| 74 | + outFID.write("sphere_sizes_and_positions\n") | |
| 75 | + for s in self.sphereList: | |
| 76 | + for p in s: | |
| 77 | + outFID.write(str(p) + ' ') | |
| 78 | + outFID.write('\n') | |
| 79 | + outFID.write("end_of_options") | |
| 80 | + | |
| 81 | + | |
| 82 | + def __str__(self): | |
| 83 | + #print(self.paramDict) | |
| 84 | + result = "" | |
| 85 | + for key in self.paramDict.keys(): | |
| 86 | + result += key + ": " + self.paramDict[key] + '\n' | |
| 87 | + | |
| 88 | + result += "\n" | |
| 89 | + result += "Spheres:\n" | |
| 90 | + #iterate through each sphere | |
| 91 | + for s in self.sphereList: | |
| 92 | + result += "------------------\n" | |
| 93 | + for i in range(len(s)): | |
| 94 | + result += self.sphereParamNames[i] + ": " + str(s[i]) + '\n' | |
| 95 | + | |
| 96 | + return result | ... | ... |
| 1 | +++ a/mstm_simparser.py | |
| 1 | +class SimParserClass: | |
| 2 | + | |
| 3 | + simResults = dict() | |
| 4 | + | |
| 5 | + def __init__(self): | |
| 6 | + self.simResults['lambda'] = list() | |
| 7 | + self.simResults['extinction_unpolarized'] = list() | |
| 8 | + self.simResults['extinction_parallel'] = list() | |
| 9 | + self.simResults['extinction_perpendicular'] = list() | |
| 10 | + | |
| 11 | + def parseSimFile(self, l, fileName): | |
| 12 | + self.simResults['lambda'].append(l) | |
| 13 | + inFile = open(fileName, 'r') | |
| 14 | + | |
| 15 | + while True: | |
| 16 | + line = inFile.readline().strip() | |
| 17 | + | |
| 18 | + if line == 'scattering matrix elements': | |
| 19 | + break | |
| 20 | + elif line == 'unpolarized total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm': | |
| 21 | + values = inFile.readline().strip().split(' ') | |
| 22 | + self.simResults['extinction_unpolarized'].append(values[0]) | |
| 23 | + elif line == 'parallel total ext, abs, scat efficiencies': | |
| 24 | + values = inFile.readline().strip().split(' ') | |
| 25 | + self.simResults['extinction_parallel'].append(values[0]) | |
| 26 | + elif line == 'perpendicular total ext, abs, scat efficiencies': | |
| 27 | + values = inFile.readline().strip().split(' ') | |
| 28 | + self.simResults['extinction_perpendicular'].append(values[0]) | |
| 29 | + | |
| 30 | + def saveFile(self, fileName): | |
| 31 | + outFile = open(fileName, 'w') | |
| 32 | + outFile.write(str(self)) | |
| 33 | + | |
| 34 | + def __getitem__(self, key): | |
| 35 | + return self.simResults[key]; | |
| 36 | + | |
| 37 | + def __str__(self): | |
| 38 | + result = ''; | |
| 39 | + | |
| 40 | + for i in range(len(self.simResults['lambda'])): | |
| 41 | + result += str(self.simResults['lambda'][i]) + '\t' | |
| 42 | + result += str(self.simResults['extinction_unpolarized'][i]) + '\t' | |
| 43 | + result += str(self.simResults['extinction_parallel'][i]) + '\t' | |
| 44 | + result += str(self.simResults['extinction_perpendicular'][i]) + '\n' | |
| 45 | + | |
| 46 | + return result | ... | ... |
| 1 | +++ a/spectralOut.txt | ... | ... |