de89d3bc
 dmayerich
Initial commit.
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!
! mstm main program
!
!
! original release: 15 January 2011
! 21 February 2011: modifications to fixed orientation efficiency factor
!
program main
use mpidefs
use mpidata
use intrinsics
use spheredata
use numconstants
use specialfuncs
use miecoefdata
use translation
use solver
use scatprops
use nearfield
implicit none
integer :: nsphere,neqns,nodrmax,nodrt,i,k,niter,istat,numtheta, &
nblkt,nodrg,m,n,p,l,q,mn,kl,m1,n1,l1,k1,q1,w,klm,mnm,ikm, &
fixedorrandom,numargs,calctmatrix,maxiter,nodrta(1),calcnf, &
calcamn,ip1,ip2,ma,na,nsend,nfplane,nfoutunit,nfoutdata, &
maxmbperproc,trackiterations,nonactive,normalizesm,storetranmat, &
fftranpresent,niterstep
integer, allocatable :: nodr(:),ntran(:),sphereblk(:),sphereoff(:)
real (8) :: alphadeg,betadeg,alpha,beta,epsmie,epstran,epssoln, &
qexttot,qabstot,xv,scalefac,qscatot,asymparm, &
rireal,riimag,phideg,theta1d,theta2d,thetad,costheta,phi, &
sm(4,4),time1,time2,fc1,fc2,fc3,fc4,epstcon,qabslm,absrat, &
cbeam,gbfocus(3),maxerr,nfplanepos,nfplanevert(2,2), &
deltax,gammadeg,epspw,gamma,qexttotpar,qexttotper, &
qabstotpar,qabstotper,qscatotpar,qscatotper,cphi,sphi,s11, &
nfdistance
real(8), allocatable :: xsp(:), rpos(:,:),qext(:,:),qabs(:,:), &
qsca(:,:),smc(:,:,:),smt(:,:,:)
complex(8) :: sa(4)
complex(8), allocatable :: amnp(:,:),amnp0(:,:,:,:),ri(:,:), &
gmn(:),amnp1(:,:,:),amnp2(:,:,:)
character*30 :: inputfile,spherefile,parmfile,outfile,tmatrixfile,&
amnfile,nfoutfile
complex(8), allocatable :: pmnp0(:,:,:,:)
integer :: ierr,rank,printinputdata,runprintunit,numprocs
!
! command line argument retrieval for input file
!
printinputdata=1
numargs=mstm_nargs()
if(numargs.eq.0) then
inputfile='msinput.inp'
else
call mstm_getarg(inputfile)
endif
call inputdata(inputfile,printinputdata)
!
! reading of run and sphere data, setting up of arrays
!
call getspheredata(number_spheres=nsphere)
allocate(xsp(nsphere),rpos(3,nsphere),nodr(nsphere),ntran(nsphere), &
ri(2,nsphere),sphereblk(nsphere),sphereoff(nsphere+1))
call getspheredata(sphere_size_parameters=xsp,sphere_positions=rpos, &
sphere_refractive_indices=ri,volume_size_parameter=xv)
call getrunparameters(mie_epsilon=epsmie,translation_epsilon=epstran, &
solution_epsilon=epssoln,max_number_iterations=niter, &
fixed_or_random_orientation=fixedorrandom,output_file=outfile, &
min_scattering_angle_deg=theta1d,max_scattering_angle_deg=theta2d, &
number_scattering_angles=numtheta,gaussian_beam_constant=cbeam, &
gaussian_beam_focal_point=gbfocus,run_print_unit=runprintunit, &
max_memory_per_processor=maxmbperproc, &
normalize_scattering_matrix=normalizesm, &
store_translation_matrix=storetranmat, &
near_field_distance=nfdistance, &
iterations_per_correction=niterstep)
if(numtheta.gt.0) then
allocate(smt(4,4,numtheta))
endif
!
! determine if optical activity is present
!
nonactive=1
do i=1,nsphere
if(cdabs(ri(1,i)-ri(2,i)).gt.1.d-10) then
nonactive=0
exit
endif
enddo
!
! calculation of sphere mie coefficients, order limits
!
call miecoefcalc(nsphere,xsp,ri,epsmie)
call getmiedata(sphere_order=nodr,max_order=nodrmax,number_equations=neqns, &
sphere_block=sphereblk,sphere_block_offset=sphereoff)
!
! determine the size of the parallel run and set it up
!
call ms_mpi(mpi_command='init')
call ms_mpi(mpi_command='size',mpi_size=numprocs)
call ms_mpi(mpi_command='rank',mpi_rank=rank)
call ms_mpi(mpi_command='barrier')
call mpisetup(nsphere,nodr,rpos,fixedorrandom,maxmbperproc,storetranmat, &
nfdistance,fftranpresent,runprintunit)
call ms_mpi(mpi_command='barrier')
call mpirottranmtrxsetup(nsphere,nodr,rpos,(1.d0,0.d0),storetranmat,&
nfdistance,runprintunit)
call ms_mpi(mpi_command='barrier')
!
! determine orders required to expand scattered fields about target origin
!
call tranorders(nsphere,nodr,rpos,epstran,ntran,nodrt)
!
! report the size of the run
!
if(rank.eq.0) then
write(runprintunit,'('' maximum sphere order:'',i5)') nodrmax
write(runprintunit,'('' estimated T matrix order:'',i5)') nodrt
write(runprintunit,'('' number of equations:'',i9)') neqns
call flush(runprintunit)
endif
!
if(fixedorrandom.eq.1) then
!
! random orientation option
!
call getrunparameters(calculate_t_matrix=calctmatrix,t_matrix_file=tmatrixfile, &
t_matrix_convergence_epsilon=epstcon)
allocate(qext(nsphere,1), qabs(nsphere,1), qsca(nsphere,1))
if(calctmatrix.ge.1) then
!
! this option calculates the T matrix either from the beginning or where left off
!
if(rank.eq.0) time1=mytime()
call tmatrixsoln(neqns,nsphere,nodr,nodrt,xsp,rpos,epssoln,epstcon,niter,&
calctmatrix,tmatrixfile,fftranpresent,niterstep,qext,qabs,qsca,istat)
if(rank.eq.0) then
time2=mytime()-time1
call timewrite(runprintunit,' execution time:',time2)
endif
call rottranmtrxclear()
else
!
! and this has the T matrix already calculated and stored in the file.
!
! read the order of the T matrix and broadcast to the processors.
!
if(rank.eq.0) then
open(3,file=tmatrixfile)
read(3,*) nodrt
close(3)
write(runprintunit,'('' t matrix order:'',i5)') nodrt
call flush(runprintunit)
endif
nodrta(1)=nodrt
call ms_mpi(mpi_command='bcast',mpi_send_buf_i=nodrta,mpi_number=1,mpi_rank=0)
nodrt=nodrta(1)
call ms_mpi(mpi_command='barrier')
endif
!
! the T matrix is available; calculate the random orientation scattering matrix
!
nblkt=nodrt*(nodrt+2)
nodrg=nodrt*2
allocate(smc(4,4,0:nodrg))
call ranorientscatmatrix(xv,nsphere,nodrt,nodrg,cbeam,tmatrixfile,smc,qext, &
qabs,qsca)
if(rank.eq.0) then
qexttot=sum(qext(:,1)*xsp*xsp)/xv/xv
qabstot=sum(qabs(:,1)*xsp*xsp)/xv/xv
qscatot=qexttot-qabstot
asymparm=dble(smc(1,1,1)/smc(1,1,0))/3.d0
call ranorienscatmatrixcalc(numtheta,theta1d,theta2d,1,smc,nodrg,smt)
endif
else
!
! fixed orientation option
!
call getrunparameters(calculate_scattering_coefficients=calcamn, &
scattering_coefficient_file=amnfile, &
scattering_plane_angle_deg=phideg, &
incident_azimuth_angle_deg=alphadeg, &
incident_polar_angle_deg=betadeg, &
track_iterations=trackiterations)
alpha=alphadeg*pi/180.d0
beta=betadeg*pi/180.d0
phi=phideg*pi/180.d0
allocate(amnp(neqns,2))
allocate(qext(nsphere,3), qabs(nsphere,3), qsca(nsphere,3))
if(calcamn.eq.1) then
!
! this option calculates the scattering coefficients
!
if(rank.eq.0) time1=mytime()
call fixedorsoln(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,epssoln,&
epstran,niter,amnp,qext,qabs,qsca,maxerr,maxiter,trackiterations, &
fftranpresent,niterstep,istat)
!
! write the scattering coefficients to the file
!
if(rank.eq.0) then
time2=mytime()-time1
write(runprintunit,'('' max iterations, soln error:'',i6,e13.5)') &
maxiter,maxerr
call timewrite(runprintunit,' execution time:',time2)
open(3,file=amnfile)
do i=1,nsphere
write(3,'(6e13.5)') qext(i,:),qabs(i,:),qsca(i,:)
allocate(amnp1(0:nodr(i)+1,nodr(i),2),amnp2(0:nodr(i)+1,nodr(i),2))
ip1=sphereoff(i)+1
ip2=sphereoff(i)+sphereblk(i)
amnp1=reshape(amnp(ip1:ip2,1),(/nodr(i)+2,nodr(i),2/))
amnp2=reshape(amnp(ip1:ip2,2),(/nodr(i)+2,nodr(i),2/))
do n=1,nodr(i)
do m=-n,n
if(m.le.-1) then
ma=n+1
na=-m
else
ma=m
na=n
endif
write(3,'(4e17.9)') amnp1(ma,na,1),amnp2(ma,na,1)
write(3,'(4e17.9)') amnp1(ma,na,2),amnp2(ma,na,2)
enddo
enddo
deallocate(amnp1,amnp2)
enddo
close(3)
endif
else
!
! this option reads the scattering coefficients from the file
!
if(rank.eq.0) then
open(3,file=amnfile)
do i=1,nsphere
read(3,'(6e13.5)') qext(i,:),qabs(i,:),qsca(i,:)
allocate(amnp1(0:nodr(i)+1,nodr(i),2),amnp2(0:nodr(i)+1,nodr(i),2))
do n=1,nodr(i)
do m=-n,n
if(m.le.-1) then
ma=n+1
na=-m
else
ma=m
na=n
endif
read(3,'(4e17.9)') amnp1(ma,na,1),amnp2(ma,na,1)
read(3,'(4e17.9)') amnp1(ma,na,2),amnp2(ma,na,2)
enddo
enddo
ip1=sphereoff(i)+1
ip2=sphereoff(i)+sphereblk(i)
amnp(ip1:ip2,1)=reshape(amnp1(0:nodr(i)+1,1:nodr(i),1:2),(/sphereblk(i)/))
amnp(ip1:ip2,2)=reshape(amnp2(0:nodr(i)+1,1:nodr(i),1:2),(/sphereblk(i)/))
deallocate(amnp1,amnp2)
enddo
close(3)
endif
!
! broadcast the scattering coefficients to the other processors
!
nsend=neqns*2
call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=amnp,mpi_number=nsend,mpi_rank=0)
endif
!
! calculate the efficiency factors
!
cphi=cos(phi)
sphi=sin(phi)
qexttotpar=sum((qext(:,1)*cphi*cphi+2.d0*qext(:,3)*cphi*sphi+qext(:,2)*sphi*sphi) &
*xsp*xsp)/xv/xv
qexttotper=sum((qext(:,1)*sphi*sphi-2.d0*qext(:,3)*cphi*sphi+qext(:,2)*cphi*cphi) &
*xsp*xsp)/xv/xv
qabstotpar=sum((qabs(:,1)*cphi*cphi+2.d0*qabs(:,3)*cphi*sphi+qabs(:,2)*sphi*sphi) &
*xsp*xsp)/xv/xv
qabstotper=sum((qabs(:,1)*sphi*sphi-2.d0*qabs(:,3)*cphi*sphi+qabs(:,2)*cphi*cphi) &
*xsp*xsp)/xv/xv
qscatotpar=qexttotpar-qabstotpar
qscatotper=qexttotper-qabstotper
qexttot=(qexttotpar+qexttotper)*.5d0
qabstot=(qabstotpar+qabstotper)*.5d0
qscatot=(qscatotpar+qscatotper)*.5d0
qext(:,1)=(qext(:,1)+qext(:,2))*.5d0
qabs(:,1)=(qabs(:,1)+qabs(:,2))*.5d0
qsca(:,1)=(qsca(:,1)+qsca(:,2))*.5d0
call rottranmtrxclear()
!
! calculate the target-based expansion and rotate to the incident field frame
!
allocate(amnp0(0:nodrt+1,nodrt,2,2),pmnp0(0:nodrt+1,nodrt,2,2))
if(rank.eq.0) then
do k=1,2
call amncommonorigin(neqns,nsphere,nodr,ntran,nodrt,rpos, &
amnp(1:neqns,k),amnp0(0:,1:,1:,k))
call rotvec(alpha,beta,0.d0,nodrt,nodrt,amnp0(0:,1:,1:,k),1)
enddo
endif
nsend=4*nodrt*(nodrt+2)
call ms_mpi(mpi_command='bcast',mpi_send_buf_dc=amnp0,mpi_number=nsend,mpi_rank=0)
!
! calculate the asymmetry parameter and the scattering matrix
!
allocate(gmn(0:2))
call s11expansion(amnp0,nodrt,0,1,gmn)
asymparm=dble(gmn(1)/gmn(0))/3.d0
do i=1,numtheta
thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1))
costheta=cos(thetad*pi/180.d0)
call scatteringmatrix(amnp0,nodrt,xv,costheta,phi,sa,smt(:,:,i))
enddo
deallocate(amnp0,pmnp0,gmn)
endif
!
! output file operations
!
if(rank.eq.0) then
open(1,file=outfile,position='append')
if(nonactive.eq.0) then
write(1,'('' sphere S.P., pos. (x,y,z), ref. index (L,R), Qext, Qsca, Qabs, Qabs/Qabs,LM'')')
else
write(1,'('' sphere S.P., pos. (x,y,z), ref. index, Qext, Qsca, Qabs, Qabs/Qabs,LM'')')
endif
do i=1,nsphere
call getmiedata(which_sphere=i,sphere_qabs=qabslm)
if(dimag(ri(1,i)).eq.0.d0.and.dimag(ri(2,i)).eq.0.d0) then
absrat=1.d0
else
absrat=qabs(i,1)/qabslm
endif
if(nonactive.eq.0) then
write(1,'(i5,4f10.4,4f10.6,3e13.5,f8.4)') i, xsp(i),rpos(:,i)+gbfocus, ri(:,i), &
qext(i,1),qsca(i,1),qabs(i,1),absrat
else
write(1,'(i5,4f10.4,2f10.6,3e13.5,f8.4)') i, xsp(i),rpos(:,i)+gbfocus, ri(1,i), &
qext(i,1),qsca(i,1),qabs(i,1),absrat
endif
enddo
if(fixedorrandom.eq.1) then
write(1,'('' total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm'')')
write(1,'(6e13.5)') qexttot,qabstot,qscatot,asymparm
else
write(1,'('' unpolarized total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm'')')
write(1,'(6e13.5)') qexttot,qabstot,qscatot,asymparm
write(1,'('' parallel total ext, abs, scat efficiencies'')')
write(1,'(6e13.5)') qexttotpar,qabstotpar,qscatotpar
write(1,'('' perpendicular total ext, abs, scat efficiencies'')')
write(1,'(6e13.5)') qexttotper,qabstotper,qscatotper
endif
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