Merge branch 'development' into MiscImprovements
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commit
6c02d71019
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 212ac3b326f3a15926d71109fec0173d95931b6b
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Subproject commit aadf2d82a7e04646e3f20c3d526f27a6f90acef0
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113
src/material.f90
113
src/material.f90
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@ -183,14 +183,11 @@ module material
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integer(pInt), private :: &
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microstructure_maxNconstituents, & !< max number of constituents in any phase
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texture_maxNgauss, & !< max number of Gauss components in any texture
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texture_maxNfiber !< max number of Fiber components in any texture
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texture_maxNgauss !< max number of Gauss components in any texture
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integer(pInt), dimension(:), allocatable, private :: &
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microstructure_Nconstituents, & !< number of constituents in each microstructure
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texture_symmetry, & !< number of symmetric orientations per texture
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texture_Ngauss, & !< number of Gauss components per texture
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texture_Nfiber !< number of Fiber components per texture
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texture_Ngauss !< number of Gauss components per texture
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integer(pInt), dimension(:,:), allocatable, private :: &
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microstructure_phase, & !< phase IDs of each microstructure
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@ -200,9 +197,7 @@ module material
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microstructure_fraction !< vol fraction of each constituent in microstructure
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real(pReal), dimension(:,:,:), allocatable, private :: &
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material_volume, & !< volume of each grain,IP,element
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texture_Gauss, & !< data of each Gauss component
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texture_Fiber, & !< data of each Fiber component
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texture_transformation !< transformation for each texture
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logical, dimension(:), allocatable, private :: &
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@ -807,31 +802,27 @@ subroutine material_parseTexture
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math_det33
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implicit none
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integer(pInt) :: section, gauss, fiber, j, t, i
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integer(pInt) :: section, gauss, j, t, i
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character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
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integer(pInt), dimension(:), allocatable :: chunkPos
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allocate(texture_symmetry(size(config_texture)), source=1_pInt)
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allocate(texture_Ngauss(size(config_texture)), source=0_pInt)
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allocate(texture_Nfiber(size(config_texture)), source=0_pInt)
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do t=1_pInt, size(config_texture)
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texture_Ngauss(t) = config_texture(t)%countKeys('(gauss)') &
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+ config_texture(t)%countKeys('(random)')
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texture_Nfiber(t) = config_texture(t)%countKeys('(fiber)')
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texture_Ngauss(t) = config_texture(t)%countKeys('(gauss)')
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if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
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if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
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if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
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enddo
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texture_maxNgauss = maxval(texture_Ngauss)
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texture_maxNfiber = maxval(texture_Nfiber)
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allocate(texture_Gauss (5,texture_maxNgauss,size(config_texture)), source=0.0_pReal)
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allocate(texture_Fiber (6,texture_maxNfiber,size(config_texture)), source=0.0_pReal)
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allocate(texture_transformation(3,3,size(config_texture)), source=0.0_pReal)
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texture_transformation = spread(math_I3,3,size(config_texture))
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do t=1_pInt, size(config_texture)
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section = t
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gauss = 0_pInt
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fiber = 0_pInt
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if (config_texture(t)%keyExists('axes')) then
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strings = config_texture(t)%getStrings('axes')
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@ -856,10 +847,6 @@ subroutine material_parseTexture
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if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
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endif
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if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
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if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
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if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
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if (config_texture(t)%keyExists('(gauss)')) then
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gauss = gauss + 1_pInt
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strings = config_texture(t)%getStrings('(gauss)',raw= .true.)
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@ -873,10 +860,6 @@ subroutine material_parseTexture
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texture_Gauss(2,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
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case('phi2')
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texture_Gauss(3,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
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case('scatter')
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texture_Gauss(4,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
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case('fraction')
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texture_Gauss(5,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)
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end select
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enddo
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enddo
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@ -984,28 +967,19 @@ end subroutine material_allocateSourceState
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!! calculates the volume of the grains and deals with texture components
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!--------------------------------------------------------------------------------------------------
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subroutine material_populateGrains
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use prec, only: &
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dEq
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use math, only: &
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math_EulertoR, &
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math_RtoEuler, &
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math_EulerToR, &
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math_mul33x33, &
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math_range
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use mesh, only: &
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theMesh, &
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mesh_ipVolume
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theMesh
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use config, only: &
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config_homogenization, &
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config_microstructure, &
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config_deallocate, &
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homogenization_name, &
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microstructure_name
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config_deallocate
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use IO, only: &
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IO_error
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use debug, only: &
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debug_level, &
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debug_material, &
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debug_levelBasic
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implicit none
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integer(pInt), dimension (:,:), allocatable :: Ngrains
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@ -1015,21 +989,17 @@ subroutine material_populateGrains
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randomOrder
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real(pReal), dimension (microstructure_maxNconstituents) :: &
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rndArray
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real(pReal), dimension (:), allocatable :: volumeOfGrain
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real(pReal), dimension (:,:), allocatable :: orientationOfGrain
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real(pReal), dimension (3) :: orientation
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real(pReal), dimension (3,3) :: symOrientation
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integer(pInt), dimension (:), allocatable :: phaseOfGrain, textureOfGrain
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integer(pInt) :: t,e,i,g,j,m,c,r,homog,micro,sgn,hme, myDebug, &
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integer(pInt) :: t,e,i,g,j,m,c,r,homog,micro,sgn,hme, &
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phaseID,textureID,dGrains,myNgrains,myNorientations,myNconstituents, &
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grain,constituentGrain,ipGrain,symExtension, ip
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grain,constituentGrain,ipGrain,ip
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real(pReal) :: deviation,extreme,rnd
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integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array
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type(group_int), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array
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myDebug = debug_level(debug_material)
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allocate(material_volume(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0.0_pReal)
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allocate(material_phase(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
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allocate(material_texture(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
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allocate(material_EulerAngles(3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0.0_pReal)
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@ -1038,6 +1008,25 @@ subroutine material_populateGrains
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allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
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do e = 1, theMesh%Nelems
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do i = 1, theMesh%elem%nIPs
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homog = theMesh%homogenizationAt(e)
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micro = theMesh%microstructureAt(e)
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do c = 1, homogenization_Ngrains(homog)
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material_phase(c,i,e) = microstructure_phase(c,micro)
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material_texture(c,i,e) = microstructure_texture(c,micro)
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material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,1,material_texture(c,i,e))
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material_EulerAngles(1:3,c,i,e) = math_RtoEuler( & ! translate back to Euler angles
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math_mul33x33( & ! pre-multiply
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math_EulertoR(material_EulerAngles(1:3,c,i,e)), & ! face-value orientation
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texture_transformation(1:3,1:3,material_texture(c,i,e)) & ! and transformation matrix
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) &
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)
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enddo
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enddo
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enddo
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return
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!--------------------------------------------------------------------------------------------------
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! precounting of elements for each homog/micro pair
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do e = 1_pInt, theMesh%Nelems
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@ -1075,47 +1064,17 @@ subroutine material_populateGrains
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elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)) = e ! remember elements active in this homog/micro pair
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enddo elementLooping
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allocate(volumeOfGrain(maxval(Ngrains)), source=0.0_pReal) ! reserve memory for maximum case
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allocate(phaseOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
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allocate(textureOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
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allocate(orientationOfGrain(3,maxval(Ngrains)),source=0.0_pReal) ! reserve memory for maximum case
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
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write(6,'(/,a/)') ' MATERIAL grain population'
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write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
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endif
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homogenizationLoop: do homog = 1_pInt,size(config_homogenization)
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dGrains = homogenization_Ngrains(homog) ! grain number per material point
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microstructureLoop: do micro = 1_pInt,size(config_microstructure) ! all pairs of homog and micro
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activePair: if (Ngrains(homog,micro) > 0_pInt) then
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myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
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myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) &
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write(6,'(/,a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
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!--------------------------------------------------------------------------------------------------
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! calculate volume of each grain
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volumeOfGrain = 0.0_pReal
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grain = 0_pInt
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do hme = 1_pInt, Nelems(homog,micro)
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e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
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if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
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volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:theMesh%elem%nIPs,e))/&
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real(dGrains,pReal) ! each grain combines size of all IPs in that element
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grain = grain + dGrains ! wind forward by Ngrains@IP
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else
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forall (i = 1_pInt:theMesh%elem%nIPs) & ! loop over IPs
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volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = &
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mesh_ipVolume(i,e)/real(dGrains,pReal) ! assign IPvolume/Ngrains@IP to all grains of IP
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grain = grain + theMesh%elem%nIPs * dGrains ! wind forward by Nips*Ngrains@IP
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endif
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enddo
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if (grain /= myNgrains) &
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call IO_error(0,el = homog,ip = micro,ext_msg = 'inconsistent grain count after volume calc')
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!--------------------------------------------------------------------------------------------------
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! divide myNgrains as best over constituents
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@ -1165,8 +1124,7 @@ subroutine material_populateGrains
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phaseOfGrain (grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
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textureOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
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myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/&
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real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
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myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/1.0,pInt) ! max number of unique orientations (excl. symmetry)
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!--------------------------------------------------------------------------------------------------
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! has texture components
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@ -1244,7 +1202,6 @@ subroutine material_populateGrains
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currentGrainOfConstituent(c)))
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ipGrain = ipGrain + 1_pInt ! advance IP grain counter
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currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt ! advance index of grain population for constituent c
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material_volume(ipGrain,i,e) = volumeOfGrain(grain+currentGrainOfConstituent(c)) ! assign properties
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material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
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material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
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material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
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@ -1254,7 +1211,6 @@ subroutine material_populateGrains
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grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
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do ipGrain = ipGrain + 1_pInt, dGrains ! ensure last constituent fills up to dGrains
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currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt
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material_volume(ipGrain,i,e) = volumeOfGrain(grain+currentGrainOfConstituent(c))
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material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
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material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
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material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
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@ -1263,7 +1219,6 @@ subroutine material_populateGrains
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enddo
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do i = i, theMesh%elem%nIPs ! loop over IPs to (possibly) distribute copies from first IP
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material_volume (1_pInt:dGrains,i,e) = material_volume (1_pInt:dGrains,1,e)
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material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e)
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material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e)
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material_EulerAngles(1:3,1_pInt:dGrains,i,e) = material_EulerAngles(1:3,1_pInt:dGrains,1,e)
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@ -1275,7 +1230,7 @@ subroutine material_populateGrains
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enddo homogenizationLoop
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deallocate(texture_transformation)
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deallocate(elemsOfHomogMicro)
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call config_deallocate('material.config/microstructure')
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end subroutine material_populateGrains
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