mstm-main-v2.2.f90 16.9 KB
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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

         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
      endif
!
!  near field calculation options
!
      if(fixedorrandom.eq.0) call getrunparameters(calculate_near_field=calcnf)
      if(fixedorrandom.eq.0.and.calcnf.eq.1) then
         call getrunparameters(near_field_plane_coord=nfplane, &
              near_field_plane_position=nfplanepos,near_field_plane_vertices=nfplanevert, &
              spacial_step_size=deltax,polarization_angle_deg=gammadeg, &
              near_field_output_file=nfoutfile,near_field_output_data=nfoutdata, &
              plane_wave_epsilon=epspw)
         nfoutunit=2
         if(rank.eq.0) then
            open(nfoutunit,file=nfoutfile)
         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!
!
      if(rank.eq.0) close(1)
      call ms_mpi(mpi_command='finalize')
      end