de89d3bc
 dmayerich
Initial commit.
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|
!
! generic mstm calling program.
!
! this code is intended for user modification. It does not employ input files, command line arguments, etc.
!
! all parameters must be hardwired. read the code for the basic ideas.
!
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,calcsm,niterstep,fftranpresent
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),chiralfactor
complex(8), allocatable :: amnp(:,:),amnp0(:,:,:,:),ri(:,:), &
gmn(:),amnp1(:,:,:),amnp2(:,:,:)
character*30 :: inputfile,spherefile,parmfile,outfile,tmatrixfile,&
amnfile,nfoutfile,runfile
complex(8), allocatable :: pmnp0(:,:,:,:)
integer :: ierr,rank,printinputdata,runprintunit,numprocs
!
! this main program was set up to perform a loop of T matrix calculations,
! all involving scaled sphere positions from the file 'ran200fvp5.pos'
!
!
! extra variable declarations go here
!
integer :: case,numcases
real(8) :: xsp0,rpos0(3,200),rotang,volfrac,volfrac0,volfrac1,posscale
complex(8) :: ri0
!
! define the sphere properties and run parameters
!
nsphere=200
xsp0=3.d0
ri0=(1.31d0,0.0d0)
chiralfactor=0.d0
volfrac0=0.1d0
volfrac1=0.5d0
allocate(xsp(nsphere),rpos(3,nsphere),nodr(nsphere),ntran(nsphere), &
ri(2,nsphere),sphereblk(nsphere),sphereoff(nsphere+1))
spherefile='ran200fvp5.pos'
open(1,file=spherefile)
do i=1,nsphere
read(1,*) xsp(i),rpos0(:,i)
enddo
close(1)
outfile='test.dat'
runfile=' '
xsp=xsp0
xv=xsp0*dble(nsphere)**.3333d0
ri=ri0
epsmie=1.d-4
epstran=1.d-6
epssoln=1.d-10
niter=2000
fixedorrandom=1
theta1d=0.
theta2d=180.
numtheta=181
maxmbperproc=1500.
storetranmat=1
nfdistance=10000.
normalizesm=0
calcamn=1
amnfile='amn-temp.dat'
phideg=0.d0
alphadeg=0.d0
betadeg=0.d0
trackiterations=0
calcnf=0
cbeam=0.d0
nfplane=1
nfplanepos=0.d0
deltax=0.2d0
nfplanevert=reshape((/-40.d0,-40.d0,40.d0,40.d0/),(/2,2/))
gammadeg=0.d0
nfoutfile='nftest2b.dat'
nfoutunit=2
nfoutdata=1
epspw=0.01d0
calctmatrix=1
tmatrixfile='tmatrix-temp.dat'
epstcon=1.d-6
!
! this erases the output file: the code runs a loop where
! output values are appended to the file
!
open(1,file=outfile)
close(1,status='delete')
if(runfile.ne.' ') then
runprintunit=4
open(runprintunit,file=runfile)
else
runprintunit=6
endif
call setrunparameters(run_print_unit=runprintunit)
!
! initialize mpi
!
call ms_mpi(mpi_command='init')
!
! this is the main variable loop. In this example the volume fraction of the spheres
! is changed with each case.
!
numcases=20
do case=1,numcases-1
volfrac=volfrac0+(volfrac1-volfrac0)*dble(case-1)/dble(numcases-1)
posscale=(volfrac1/volfrac)**.33333d0
rpos=rpos0*posscale*xsp0
write(runprintunit,'('' case, fv:'',i5,f8.2)') case, volfrac
!
! the rest of the code is basically the same as the mstm
! main program, without the getrunparameter calls.
!
if(numtheta.gt.0) then
if(allocated(smt)) deallocate(smt)
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='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')
!
! this was an option for moving the GB focal point
!
gbfocus=(/0.d0,dble(case-1),0.d0/)*.5d0
gbfocus=0.d0
!
! translation matrix calculation
!
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
!
! the main calculations
!
if(fixedorrandom.eq.1) then
!
! random orientation option
!
if(allocated(qext)) deallocate(qext,qabs,qsca)
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
if(allocated(smc)) deallocate(smc)
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
!
alpha=alphadeg*pi/180.d0
beta=betadeg*pi/180.d0
phi=phideg*pi/180.d0
if(allocated(amnp)) deallocate(amnp)
allocate(amnp(neqns,2))
if(allocated(qext)) deallocate(qext,qabs,qsca)
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))
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
!
! 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
write(1,'('' scattering matrix elements'')')
if(normalizesm.eq.0) then
write(1,'('' theta s11 s22 s33'',&
&'' s44'',&
&'' s21 s32 s43 s31'',&
&'' s42 s41'')')
do i=1,numtheta
thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1))
write(1,'(f8.2,10e12.4)') thetad,smt(1,1,i),smt(2,2,i),smt(3,3,i), &
smt(4,4,i),smt(1,2,i),smt(2,3,i),smt(3,4,i),smt(1,3,i), &
smt(2,4,i),smt(1,4,i)
enddo
else
write(1,'('' theta s11 s22/s11 s33'',&
&''/s11 s44'',&
&''/s11 s21/s11 s32/s11 s43/s11 s31'',&
&''/s11 s42/s11 s41/s11'')')
do i=1,numtheta
thetad=theta1d+(theta2d-theta1d)*(i-1)/max(1.d0,dble(numtheta-1))
s11=smt(1,1,i)
write(1,'(f8.2,10e12.4)') thetad,smt(1,1,i),smt(2,2,i)/s11,smt(3,3,i)/s11, &
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, &
smt(2,4,i)/s11,smt(1,4,i)/s11
enddo
endif
if(fixedorrandom.eq.1) then
write(1,'('' scattering matrix expansion coefficients'')')
write(1,'('' w a11 a22 a33 '',&
&''a23 a32 a44 a12 '',&
&''a34 a13 a24 a14'')')
do w=0,nodrg
write(1,'(i5,11e12.4)') w,smc(1,1,w),smc(2,2,w),&
smc(3,3,w),smc(2,3,w),smc(3,2,w),smc(4,4,w),&
smc(1,2,w),smc(3,4,w),smc(1,3,w),smc(2,4,w),&
smc(1,4,w)
enddo
endif
close(1)
endif
!
! near field calculation options
!
if(fixedorrandom.eq.0.and.calcnf.eq.1) then
!
! this was a modification to the main: the near field file
! is opened for appending
!
if(rank.eq.0) then
open(nfoutunit,file=nfoutfile,position='append')
endif
gamma=gammadeg*pi/180.d0
call nearfieldgridcalc(neqns,nsphere,nodr,alpha,beta,cbeam,xsp,rpos,ri,amnp, &
nfplane,nfplanepos,nfplanevert,gbfocus,deltax,gamma,nfoutunit,epspw, &
nfoutdata,runprintunit)
if(rank.eq.0) then
close(nfoutunit)
endif
endif
!
! all done!
!
!
! and this ends the main variable loop.
!
enddo
!
! time to go home
!
call ms_mpi(mpi_command='finalize')
end
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