reordered initialization for spectral method, corrected bug of deformation BC parsing when prescribing velocity gradient resulting in wrong average deformation
This commit is contained in:
Martin Diehl
parent
d4163dd16f
commit
991a7bbd2d
103
code/CPFEM.f90
103
code/CPFEM.f90
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@ -29,13 +29,13 @@ implicit none
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real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, &
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CPFEM_odd_jacobian = 1e50_pReal
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real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs ! Cauchy stress
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE ! Cauchy stress tangent
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood ! known good tangent
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real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs ! Cauchy stress
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE ! Cauchy stress tangent
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real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood ! known good tangent
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logical :: CPFEM_init_done = .false., & ! remember whether init has been done already
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CPFEM_init_inProgress = .false., & ! remember whether first IP is currently performing init
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CPFEM_calc_done = .false. ! remember whether first IP has already calced the results
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logical :: CPFEM_init_done = .false., & ! remember whether init has been done already
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CPFEM_init_inProgress = .false., & ! remember whether first IP is currently performing init
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CPFEM_calc_done = .false. ! remember whether first IP has already calced the results
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CONTAINS
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@ -62,9 +62,9 @@ subroutine CPFEM_initAll(Temperature,element,IP)
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use DAMASK_interface
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implicit none
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integer(pInt), intent(in) :: element, & ! FE element number
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IP ! FE integration point number
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real(pReal), intent(in) :: Temperature ! temperature
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integer(pInt), intent(in) :: element, & ! FE element number
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IP ! FE integration point number
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real(pReal), intent(in) :: Temperature ! temperature
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real(pReal) rnd
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integer(pInt) i,n
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@ -73,30 +73,33 @@ subroutine CPFEM_initAll(Temperature,element,IP)
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if (.not. CPFEM_init_done) then
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call random_number(rnd)
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do i=1,int(256.0*rnd)
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n = n+1_pInt ! wasting random amount of time...
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enddo ! ...to break potential race in multithreading
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n = n+1_pInt ! wasting random amount of time...
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enddo ! ...to break potential race in multithreading
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n = n+1_pInt
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if (.not. CPFEM_init_inProgress) then ! yes my thread won!
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if (.not. CPFEM_init_inProgress) then ! yes my thread won!
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CPFEM_init_inProgress = .true.
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#ifdef Spectral
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call DAMASK_interface_init() ! Spectral solver is interfacing to commandline
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#endif
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call prec_init
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call IO_init
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call numerics_init
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call debug_init
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call math_init
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call FE_init
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call mesh_init(IP, element) ! pass on coordinates to alter calcMode of first ip
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call mesh_init(IP, element) ! pass on coordinates to alter calcMode of first ip
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call lattice_init
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call material_init
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call constitutive_init
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call crystallite_init(Temperature) ! (have to) use temperature of first IP for whole model
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call crystallite_init(Temperature) ! (have to) use temperature of first IP for whole model
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call homogenization_init(Temperature)
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call CPFEM_init
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#ifndef Spectral
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call DAMASK_interface_init() ! Spectral solver is doing initialization earlier
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call DAMASK_interface_init() ! Spectral solver init is already done
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#endif
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CPFEM_init_done = .true.
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CPFEM_init_inProgress = .false.
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else ! loser, loser...
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else ! loser, loser...
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do while (CPFEM_init_inProgress)
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enddo
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endif
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@ -111,7 +114,7 @@ end subroutine CPFEM_initAll
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subroutine CPFEM_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use prec, only: pInt
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use debug, only: debug_level, &
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debug_CPFEM, &
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@ -315,46 +318,46 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
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!*** input variables ***!
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integer(pInt), intent(in) :: element, & ! FE element number
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IP ! FE integration point number
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real(pReal), intent(inout) :: Temperature ! temperature
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real(pReal), intent(in) :: dt ! time increment
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real(pReal), dimension (3,*), intent(in) :: coords ! MARC: displacements for each node of the current element
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! ABAQUS: coordinates of the current material point (IP)
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! SPECTRAL: coordinates of the current material point (IP)
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real(pReal), dimension (3,3), intent(in) :: ffn, & ! deformation gradient for t=t0
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ffn1 ! deformation gradient for t=t1
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integer(pInt), intent(in) :: mode ! computation mode 1: regular computation plus aging of results
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! 2: regular computation
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! 3: collection of FEM data
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! 4: backup tangent from former converged inc
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! 5: restore tangent from former converged inc
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! 6: recycling of former results (MARC speciality)
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integer(pInt), intent(in) :: element, & ! FE element number
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IP ! FE integration point number
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real(pReal), intent(inout) :: Temperature ! temperature
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real(pReal), intent(in) :: dt ! time increment
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real(pReal), dimension (3,*), intent(in) :: coords ! MARC: displacements for each node of the current element
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! ABAQUS: coordinates of the current material point (IP)
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! SPECTRAL: coordinates of the current material point (IP)
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real(pReal), dimension (3,3), intent(in) :: ffn, & ! deformation gradient for t=t0
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ffn1 ! deformation gradient for t=t1
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integer(pInt), intent(in) :: mode ! computation mode 1: regular computation plus aging of results
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! 2: regular computation
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! 3: collection of FEM data
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! 4: backup tangent from former converged inc
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! 5: restore tangent from former converged inc
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! 6: recycling of former results (MARC speciality)
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!*** output variables ***!
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real(pReal), dimension(6), intent(out) :: cauchyStress ! stress vector in Mandel notation
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real(pReal), dimension(6,6), intent(out) :: jacobian ! jacobian in Mandel notation
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real(pReal), dimension (3,3), intent(out) :: pstress ! Piola-Kirchhoff stress in Matrix notation
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real(pReal), dimension (3,3,3,3), intent(out) :: dPdF !
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real(pReal), dimension(6), intent(out) :: cauchyStress ! stress vector in Mandel notation
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real(pReal), dimension(6,6), intent(out) :: jacobian ! jacobian in Mandel notation
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real(pReal), dimension (3,3), intent(out) :: pstress ! Piola-Kirchhoff stress in Matrix notation
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real(pReal), dimension (3,3,3,3), intent(out) :: dPdF !
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!*** local variables ***!
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real(pReal) J_inverse, & ! inverse of Jacobian
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real(pReal) J_inverse, & ! inverse of Jacobian
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rnd
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real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress in Matrix notation
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cauchyStress33 ! stress vector in Matrix notation
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real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress in Matrix notation
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cauchyStress33 ! stress vector in Matrix notation
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real(pReal), dimension (3,3,3,3) :: H_sym, &
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H, &
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jacobian3333 ! jacobian in Matrix notation
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integer(pInt) cp_en, & ! crystal plasticity element number
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jacobian3333 ! jacobian in Matrix notation
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integer(pInt) cp_en, & ! crystal plasticity element number
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i, j, k, l, m, n, e
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#ifdef Marc
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integer(pInt):: node, FEnodeID
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#endif
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logical updateJaco ! flag indicating if JAcobian has to be updated
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logical updateJaco ! flag indicating if JAcobian has to be updated
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cp_en = mesh_FEasCP('elem',element)
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@ -387,15 +390,15 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
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!*** age results
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if (mode == 1 .or. mode == 8) then
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crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
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crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
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crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
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crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
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crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
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crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
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crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
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crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
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crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
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crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
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forall ( i = 1:homogenization_maxNgrains, &
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j = 1:mesh_maxNips, &
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k = 1:mesh_NcpElems ) &
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constitutive_state0(i,j,k)%p = constitutive_state(i,j,k)%p ! microstructure of crystallites
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constitutive_state0(i,j,k)%p = constitutive_state(i,j,k)%p ! microstructure of crystallites
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if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
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!$OMP CRITICAL (write2out)
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write(6,'(a)') '<< CPFEM >> Aging states'
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@ -410,7 +413,7 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
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do k = 1,mesh_NcpElems
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do j = 1,mesh_maxNips
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if (homogenization_sizeState(j,k) > 0_pInt) &
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homogenization_state0(j,k)%p = homogenization_state(j,k)%p ! internal state of homogenization scheme
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homogenization_state0(j,k)%p = homogenization_state(j,k)%p ! internal state of homogenization scheme
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enddo
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enddo
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!$OMP END PARALLEL DO
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@ -476,7 +479,7 @@ subroutine CPFEM_general(mode, coords, ffn, ffn1, Temperature, dt, element, IP,
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! * end of dumping
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endif
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if (mode == 8 .or. mode == 9) then ! Abaqus explicit skips collect
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if (mode == 8 .or. mode == 9) then ! Abaqus explicit skips collect
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materialpoint_Temperature(IP,cp_en) = Temperature
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materialpoint_F0(1:3,1:3,IP,cp_en) = ffn
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materialpoint_F(1:3,1:3,IP,cp_en) = ffn1
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@ -170,6 +170,7 @@ program DAMASK_spectral
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P_av, &
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F_aim = math_I3, &
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F_aim_lastInc = math_I3, &
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Favg = 0.0_pReal, &
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mask_stress, &
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mask_defgrad, &
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deltaF_aim, &
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@ -257,7 +258,11 @@ program DAMASK_spectral
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integer :: ierr_psc
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call PetscInitialize(PETSC_NULL_CHARACTER, ierr_psc)
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#endif
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call DAMASK_interface_init
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!--------------------------------------------------------------------------------------------------
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! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
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call CPFEM_initAll(temperature = 300.0_pReal, element = 1_pInt, IP= 1_pInt)
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>'
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write(6,'(a)') ' $Id$'
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@ -364,10 +369,6 @@ program DAMASK_spectral
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enddo; enddo
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101 close(myUnit)
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!-------------------------------------------------------------------------------------------------- ToDo: if temperature at CPFEM is treated properly, move this up immediately after interface init
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! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
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call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
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!--------------------------------------------------------------------------------------------------
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! get resolution, dimension, homogenization and variables derived from resolution
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res = mesh_spectral_getResolution()
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@ -700,6 +701,7 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! update local deformation gradient and coordinates
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deltaF_aim = math_rotate_backward33(deltaF_aim,bc(loadcase)%rotation)
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Favg = 0.0_pReal
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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temp33_Real = F(i,j,k,1:3,1:3)
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F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
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@ -707,6 +709,11 @@ program DAMASK_spectral
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*timeinc/timeinc_old &
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+ (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable
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F_lastInc(i,j,k,1:3,1:3) = temp33_Real
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Favg = Favg + F(i,j,k,1:3,1:3)
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enddo; enddo; enddo
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deltaF_aim = guessmode *(Favg*wgt -F_aim) ! average correction in case of guessing to
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - deltaF_aim ! correct in case avg of F is not F_aim
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enddo; enddo; enddo
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call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,bc(loadcase)%rotation),& ! calculate current coordinates
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1.0_pReal,F_lastInc,coordinates)
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@ -1038,7 +1045,6 @@ program DAMASK_spectral
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F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - deltaF_real(i,j,k,1:3,1:3)*wgt ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! calculate bounds of det(F) and report
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if(debugGeneral) then
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