polishing
This commit is contained in:
Martin Diehl
parent
2fa8691335
commit
0b70f01e04
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@ -208,7 +208,7 @@ integer(HID_T) function HDF5_addGroup(fileHandle,groupName)
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call h5gcreate_f(fileHandle, trim(groupName), HDF5_addGroup, hdferr, OBJECT_NAMELEN_DEFAULT_F,gapl_id = aplist_id)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_addGroup: h5gcreate_f ('//trim(groupName)//')')
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call h5pclose_f(aplist_id)
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call h5pclose_f(aplist_id,hdferr)
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end function HDF5_addGroup
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@ -244,7 +244,7 @@ integer(HID_T) function HDF5_openGroup(fileHandle,groupName)
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call h5gopen_f(fileHandle, trim(groupName), HDF5_openGroup, hdferr, gapl_id = aplist_id)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_openGroup: h5gopen_f ('//trim(groupName)//')')
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call h5pclose_f(aplist_id)
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call h5pclose_f(aplist_id,hdferr)
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end function HDF5_openGroup
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@ -1083,6 +1083,7 @@ subroutine crystallite_results
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#if defined(PETSc) || defined(DAMASK_HDF5)
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use results
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use HDF5_utilities
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use rotations
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use config, only: &
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config_name_phase => phase_name ! anticipate logical name
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@ -1091,76 +1092,81 @@ subroutine crystallite_results
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implicit none
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integer :: p,o
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real(pReal), allocatable, dimension(:,:,:) :: selected
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real(pReal), allocatable, dimension(:,:,:) :: selected_tensors
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type(rotation), allocatable, dimension(:) :: selected_rotations
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character(len=256) :: group
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character(len=16) :: j
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call HDF5_closeGroup(results_addGroup('current/constituent'))
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do p=1,size(config_name_phase)
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write(j,('(i2.2)')) p ! allow 99 groups
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group = trim('current/constituent')//'/'//trim(j)//'_'//trim(config_name_phase(p))
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group = trim('current/constituent')//'/'//trim(config_name_phase(p))
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call HDF5_closeGroup(results_addGroup(group))
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do o = 1, size(output_constituent(p)%label)
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select case (output_constituent(p)%label(o))
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case('f')
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selected = packed(crystallite_partionedF,p)
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call results_writeDataset(group,selected,'F',&
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selected_tensors = select_tensors(crystallite_partionedF,p)
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call results_writeDataset(group,selected_tensors,'F',&
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'deformation gradient','1')
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case('fe')
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selected = packed(crystallite_Fe,p)
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call results_writeDataset(group,selected,'Fe',&
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selected_tensors = select_tensors(crystallite_Fe,p)
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call results_writeDataset(group,selected_tensors,'Fe',&
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'elastic deformation gradient','1')
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case('fp')
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selected = packed(crystallite_Fp,p)
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call results_writeDataset(group,selected,'Fp',&
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selected_tensors = select_tensors(crystallite_Fp,p)
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call results_writeDataset(group,selected_tensors,'Fp',&
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'plastic deformation gradient','1')
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case('fi')
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selected = packed(crystallite_Fi,p)
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call results_writeDataset(group,selected,'Fi',&
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selected_tensors = select_tensors(crystallite_Fi,p)
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call results_writeDataset(group,selected_tensors,'Fi',&
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'inelastic deformation gradient','1')
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case('lp')
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selected = packed(crystallite_Lp,p)
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call results_writeDataset(group,selected,'Lp',&
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selected_tensors = select_tensors(crystallite_Lp,p)
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call results_writeDataset(group,selected_tensors,'Lp',&
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'plastic velocity gradient','1/s')
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case('li')
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selected = packed(crystallite_Li,p)
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call results_writeDataset(group,selected,'Li',&
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selected_tensors = select_tensors(crystallite_Li,p)
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call results_writeDataset(group,selected_tensors,'Li',&
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'inelastic velocity gradient','1/s')
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case('p')
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selected = packed(crystallite_P,p)
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call results_writeDataset(group,selected,'P',&
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selected_tensors = select_tensors(crystallite_P,p)
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call results_writeDataset(group,selected_tensors,'P',&
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'1st Piola-Kirchoff stress','Pa')
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case('s')
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selected = packed(crystallite_S,p)
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call results_writeDataset(group,selected,'S',&
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'2nd Piola-Kirchoff stress','Pa')
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selected_tensors = select_tensors(crystallite_S,p)
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call results_writeDataset(group,selected_tensors,'S',&
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'2nd Piola-Kirchoff stress','Pa')
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case('orientation')
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selected_rotations = select_rotations(crystallite_orientation,p)
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call results_writeDataset(group,selected_rotations,'orientation',&
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'crystal orientation as quaternion','1')
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end select
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enddo
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enddo
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contains
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function packed(res,instance)
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!--------------------------------------------------------------------------------------------------
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!> @brief select tensors for output
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!--------------------------------------------------------------------------------------------------
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function select_tensors(dataset,instance)
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use material, only: &
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homogenization_maxNgrains, &
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material_phaseAt
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integer, intent(in) :: instance
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real(pReal), dimension(:,:,:,:,:), intent(in) :: res
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real(pReal), allocatable, dimension(:,:,:) :: packed
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real(pReal), dimension(:,:,:,:,:), intent(in) :: dataset
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real(pReal), allocatable, dimension(:,:,:) :: select_tensors
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integer :: e,i,c,j
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allocate(packed(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains))
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!---------------------------------------------------------------------------------------------------
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! expand phaseAt to consider IPs (is not stored per IP)
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allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains))
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j=1
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do e = 1, size(material_phaseAt,2)
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do i = 1, homogenization_maxNgrains
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do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
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do c = 1, size(material_phaseAt,1)
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if (material_phaseAt(c,e) == instance) then
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packed(1:3,1:3,j) = res(1:3,1:3,c,i,e)
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select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e)
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j = j + 1
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endif
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enddo
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@ -1168,7 +1174,39 @@ subroutine crystallite_results
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enddo
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end function packed
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end function select_tensors
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!--------------------------------------------------------------------------------------------------
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!> @brief select rotations for output
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!--------------------------------------------------------------------------------------------------
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function select_rotations(dataset,instance)
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use material, only: &
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homogenization_maxNgrains, &
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material_phaseAt
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integer, intent(in) :: instance
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type(rotation), dimension(:,:,:), intent(in) :: dataset
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type(rotation), allocatable, dimension(:) :: select_rotations
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integer :: e,i,c,j
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allocate(select_rotations(count(material_phaseAt==instance)*homogenization_maxNgrains))
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j=1
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do e = 1, size(material_phaseAt,2)
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do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
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do c = 1, size(material_phaseAt,1)
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if (material_phaseAt(c,e) == instance) then
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select_rotations(j) = dataset(c,i,e)
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j = j + 1
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endif
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enddo
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enddo
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enddo
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end function select_rotations
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#endif
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