removed spectralPicturemode

code/DAMASK_spectral.f90

@@ -95,7 +95,6 @@ program DAMASK_spectral
  integer(pInt) ::                             Npoints,&                                                 ! number of Fourier points
                                               homog                                                     ! homogenization scheme used
  integer(pInt), dimension(3) ::               res = 1_pInt                                              ! resolution (number of Fourier points) in each direction
- logical ::                                   spectralPictureMode = .false.                             ! indicating 1 to 1 mapping of FP to microstructure
 
 ! stress, stiffness and compliance average etc.
  real(pReal), dimension(3,3) ::               pstress, pstress_av, defgrad_av_lab, &
@@ -316,8 +315,6 @@ program DAMASK_spectral
              res(3) = IO_intValue(line,positions,j+1_pInt)
          end select
        enddo
-     case ('picture')
-       spectralPictureMode = .true.
    end select
  enddo
  close(myUnit)
@@ -349,7 +346,6 @@ program DAMASK_spectral
  print '(a,i12,i12,i12)','resolution a b c:', res
  print '(a,f12.5,f12.5,f12.5)','dimension x y z:', geomdimension
  print '(a,i5)','homogenization:       ',homog
- print '(a,L)', 'spectralPictureMode:  ',spectralPictureMode
  print '(a)',   '#############################################################'
  print '(a,a)', 'loadcase file:        ',trim(getLoadcaseName())
 

code/material.f90

@@ -280,7 +280,7 @@ subroutine material_parseMicrostructure(file,myPart)
 
  use prec, only: pInt
  use IO
- use mesh, only: mesh_element, spectralPictureMode
+ use mesh, only: mesh_element
  implicit none
 
  character(len=*), intent(in) :: myPart
@@ -301,11 +301,7 @@ subroutine material_parseMicrostructure(file,myPart)
  allocate(microstructure_active(Nsections))
  allocate(microstructure_elemhomo(Nsections))
 
- if (spectralPictureMode) then
-   microstructure_active = .true.
- else
  forall (i = 1:Nsections) microstructure_active(i) = any(mesh_element(4,:) == i)    ! current microstructure used in model?
- endif
   
  microstructure_Nconstituents = IO_countTagInPart(file,myPart,'(constituent)',Nsections)
  microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
@@ -601,7 +597,7 @@ subroutine material_populateGrains()
 
  use prec, only: pInt, pReal
  use math, only: math_sampleRandomOri, math_sampleGaussOri, math_sampleFiberOri, math_symmetricEulers, inDeg
- use mesh, only: mesh_element, mesh_maxNips, mesh_NcpElems, mesh_ipVolume, FE_Nips, spectralPictureMode
+ use mesh, only: mesh_element, mesh_maxNips, mesh_NcpElems, mesh_ipVolume, FE_Nips
  use IO,   only: IO_error, IO_hybridIA
  use FEsolving, only: FEsolving_execIP
  use debug, only: debug_verbosity
@@ -616,8 +612,10 @@ subroutine material_populateGrains()
  integer(pInt), dimension (:),   allocatable :: phaseOfGrain, textureOfGrain
  integer(pInt) t,e,i,g,j,m,homog,micro,sgn,loopStart,loopEnd
  integer(pInt) phaseID,textureID,dGrains,myNgrains,myNorientations, &
-               grain,constituentGrain,symExtension
+               grain,constituentGrain,symExtension, counter_cpElemsindex
  real(pReal) extreme,rnd
+ integer(pInt), dimension (:,:), allocatable :: NcpElemscounter   ! counts number of elements in homog, micro array
+ integer(pInt), dimension (:,:,:), allocatable :: cpElemsindex    ! lists element number in homog, micro array
 
 
  allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ;        material_volume      = 0.0_pReal
@@ -627,7 +625,18 @@ subroutine material_populateGrains()
  
  allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure)); Ngrains = 0_pInt
  
+ allocate(NcpElemscounter(material_Nhomogenization,material_Nmicrostructure)); NcpElemscounter = &  
+      0_pInt
+
 ! identify maximum grain count per IP (from element) and find grains per homog/micro pair
+ do e = 1, mesh_NcpElems
+   NcpElemscounter(homog,micro) = NcpElemscounter(homog,micro) + 1_pInt
+ enddo
+ 
+ allocate(cpElemsindex(material_Nhomogenization,material_Nmicrostructure,maxval(NcpElemscounter)))  
+      cpElemsindex = 0_pInt
+ 
+ counter_cpElemsindex = 0_pInt
  do e = 1,mesh_NcpElems
    homog = mesh_element(3,e)
    micro = mesh_element(4,e)
@@ -641,6 +650,9 @@ subroutine material_populateGrains()
      dGrains = homogenization_Ngrains(homog) * FE_Nips(mesh_element(2,e))
    endif
    Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains
+   counter_cpElemsindex = counter_cpElemsindex + 1_pInt
+   cpElemsindex(homog,micro,counter_cpElemsindex) = e         ! populate arrays
+   
  enddo
 
  allocate(volumeOfGrain(maxval(Ngrains)))           ! reserve memory for maximum case
@@ -670,16 +682,9 @@ subroutine material_populateGrains()
      
 ! ----------------------------------------------------------------------------  calculate volume of each grain
        volumeOfGrain = 0.0_pReal
-       grain = 0_pInt                               ! microstructure grain index
+       grain = 0_pInt
-       if (spectralPictureMode) then
+       do counter_cpElemsindex = 1, NcpElemscounter(homog,micro)
-         loopStart = micro
+         e = cpElemsindex(homog,micro,counter_cpElemsindex)    ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
-         loopEnd = micro
-       else
-         loopStart = 1_pInt
-         loopEnd = mesh_NcpElems
-       endif
-       do e = loopStart,loopEnd                             ! check each element
-         if (mesh_element(3,e) == homog .and. mesh_element(4,e) == micro) then  ! my combination of homog and micro
          if (microstructure_elemhomo(micro)) then                             ! homogeneous distribution of grains over each element's IPs
            volumeOfGrain(grain+1:grain+dGrains) = sum(mesh_ipVolume(1:FE_Nips(mesh_element(2,e)),e))/dGrains
            grain = grain + dGrains                                            ! wind forward by NgrainsPerIP
@@ -689,8 +694,8 @@ subroutine material_populateGrains()
                mesh_ipVolume(i,e)/dGrains                                     ! assign IPvolume/Ngrains to all grains of IP
            grain = grain + FE_Nips(mesh_element(2,e)) * dGrains               ! wind forward by Nips*NgrainsPerIP
          endif
-         endif
        enddo
+       
 ! ----------------------------------------------------------------------------  divide myNgrains as best over constituents
        NgrainsOfConstituent = 0_pInt
        forall (i = 1:microstructure_Nconstituents(micro)) &
@@ -794,16 +799,9 @@ subroutine material_populateGrains()
        !exchange in MC steps to improve result...
 
 ! ----------------------------------------------------------------------------
-       grain = 0_pInt                                                           ! microstructure grain index
+       grain = 0_pInt
-       if (spectralPictureMode) then
+       do counter_cpElemsindex = 1, NcpElemscounter(homog,micro)
-         loopStart = micro
+       e = cpElemsindex(homog,micro,counter_cpElemsindex)  ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
-         loopEnd = micro
-       else
-         loopStart = 1_pInt
-         loopEnd = mesh_NcpElems
-       endif
-       do e = loopStart,loopEnd                             ! check each element
-         if (mesh_element(3,e) == homog .and. mesh_element(4,e) == micro) then  ! my combination of homog and micro
          if (microstructure_elemhomo(micro)) then                             ! homogeneous distribution of grains over each element's IPs
            forall (i = 1:FE_Nips(mesh_element(2,e)), g = 1:dGrains)           ! loop over IPs and grains
              material_volume(g,i,e)        = volumeOfGrain(grain+g)
@@ -822,9 +820,7 @@ subroutine material_populateGrains()
            end forall
            grain = grain + FE_Nips(mesh_element(2,e)) * dGrains               ! wind forward by Nips*NgrainsPerIP
          endif
-         endif
        enddo
-
      endif   ! active homog,micro pair
    enddo
  enddo
@@ -833,6 +829,8 @@ subroutine material_populateGrains()
  deallocate(phaseOfGrain)
  deallocate(textureOfGrain)
  deallocate(orientationOfGrain)
+ deallocate(cpElemsindex)
+ deallocate(NcpElemscounter)
 
  endsubroutine
 

code/mesh.f90

@@ -87,7 +87,6 @@
  integer(pInt), dimension(:,:,:),   allocatable :: FE_ipNeighbor
  integer(pInt), dimension(:,:,:),   allocatable :: FE_subNodeParent
  integer(pInt), dimension(:,:,:,:), allocatable :: FE_subNodeOnIPFace
- logical spectralPictureMode
  
  logical :: noPart                                                        ! for cases where the ABAQUS input file does not use part/assembly information
  logical, dimension(3) :: mesh_periodicSurface                            ! flag indicating periodic outer surfaces (used for fluxes)
@@ -2402,7 +2401,6 @@ subroutine mesh_marc_count_cpSizes (myUnit)
 
  gotResolution = .false.
  gotDimension =  .false.
- spectralPictureMode = .false.
  rewind(myUnit)
  read(myUnit,'(a1024)') line
  myPos = IO_stringPos(line,2)
@@ -2442,8 +2440,6 @@ subroutine mesh_marc_count_cpSizes (myUnit)
              c = 1_pInt + IO_intValue(line,myPos,j+1)
          end select
        enddo
-      case ('picture')
-        spectralPictureMode = .true.
    end select
  enddo