429 lines
21 KiB
Fortran
429 lines
21 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief homogenization manager, organizing deformation partitioning and stress homogenization
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!--------------------------------------------------------------------------------------------------
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module homogenization
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use prec
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use IO
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use config
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use math
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use material
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use constitutive
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use FEsolving
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use discretization
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use thermal_isothermal
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use thermal_conduction
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use damage_none
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use damage_nonlocal
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use results
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implicit none
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private
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logical, public :: &
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terminallyIll = .false. !< at least one material point is terminally ill
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!--------------------------------------------------------------------------------------------------
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! General variables for the homogenization at a material point
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real(pReal), dimension(:,:,:), allocatable, public :: &
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homogenization_F0, & !< def grad of IP at start of FE increment
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homogenization_F !< def grad of IP to be reached at end of FE increment
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real(pReal), dimension(:,:,:), allocatable, public :: & !, protected :: & Issue with ifort
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homogenization_P !< first P--K stress of IP
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real(pReal), dimension(:,:,:,:,:), allocatable, public :: & !, protected :: &
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homogenization_dPdF !< tangent of first P--K stress at IP
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!--------------------------------------------------------------------------------------------------
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type :: tNumerics
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integer :: &
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nMPstate !< materialpoint state loop limit
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real(pReal) :: &
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subStepMinHomog, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeHomog, & !< size of first substep when cutback in homogenization
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stepIncreaseHomog !< increase of next substep size when previous substep converged in homogenization
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end type tNumerics
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type(tNumerics) :: num
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type :: tDebugOptions
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logical :: &
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basic, &
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extensive, &
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selective
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integer :: &
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element, &
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ip, &
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grain
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end type tDebugOptions
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type(tDebugOptions) :: debugHomog
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!--------------------------------------------------------------------------------------------------
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interface
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module subroutine mech_init(num_homog)
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class(tNode), pointer, intent(in) :: &
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num_homog !< pointer to mechanical homogenization numerics data
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end subroutine mech_init
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module subroutine mech_partition(subF,ip,el)
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real(pReal), intent(in), dimension(3,3) :: &
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subF
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integer, intent(in) :: &
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ip, & !< integration point
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el !< element number
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end subroutine mech_partition
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module subroutine mech_homogenize(ip,el)
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integer, intent(in) :: &
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ip, & !< integration point
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el !< element number
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end subroutine mech_homogenize
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module subroutine mech_results(group_base,h)
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character(len=*), intent(in) :: group_base
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integer, intent(in) :: h
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end subroutine mech_results
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! -------- ToDo ---------------------------------------------------------
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module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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logical, dimension(2) :: mech_RGC_updateState
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real(pReal), dimension(:,:,:), intent(in) :: &
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P,& !< partitioned stresses
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F,& !< partitioned deformation gradients
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F0 !< partitioned initial deformation gradients
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real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
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real(pReal), dimension(3,3), intent(in) :: avgF !< average F
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real(pReal), intent(in) :: dt !< time increment
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integer, intent(in) :: &
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ip, & !< integration point number
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el !< element number
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end function mech_RGC_updateState
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end interface
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! -----------------------------------------------------------------------
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public :: &
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homogenization_init, &
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materialpoint_stressAndItsTangent, &
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homogenization_results
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief module initialization
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!--------------------------------------------------------------------------------------------------
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subroutine homogenization_init
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class (tNode) , pointer :: &
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num_homog, &
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num_homogGeneric, &
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debug_homogenization
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print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
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debug_homogenization => config_debug%get('homogenization', defaultVal=emptyList)
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debugHomog%basic = debug_homogenization%contains('basic')
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debugHomog%extensive = debug_homogenization%contains('extensive')
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debugHomog%selective = debug_homogenization%contains('selective')
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debugHomog%element = config_debug%get_asInt('element',defaultVal = 1)
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debugHomog%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
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debugHomog%grain = config_debug%get_asInt('grain',defaultVal = 1)
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if (debugHomog%grain < 1 &
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.or. debugHomog%grain > homogenization_Nconstituents(material_homogenizationAt(debugHomog%element))) &
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call IO_error(602,ext_msg='constituent', el=debugHomog%element, g=debugHomog%grain)
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num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
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num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
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num%nMPstate = num_homogGeneric%get_asInt ('nMPstate', defaultVal=10)
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num%subStepMinHomog = num_homogGeneric%get_asFloat('subStepMin', defaultVal=1.0e-3_pReal)
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num%subStepSizeHomog = num_homogGeneric%get_asFloat('subStepSize', defaultVal=0.25_pReal)
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num%stepIncreaseHomog = num_homogGeneric%get_asFloat('stepIncrease', defaultVal=1.5_pReal)
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if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
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if (num%subStepMinHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinHomog')
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if (num%subStepSizeHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeHomog')
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if (num%stepIncreaseHomog <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseHomog')
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call mech_init(num_homog)
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if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init
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if (any(thermal_type == THERMAL_conduction_ID)) call thermal_conduction_init
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if (any(damage_type == DAMAGE_none_ID)) call damage_none_init
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if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
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end subroutine homogenization_init
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!--------------------------------------------------------------------------------------------------
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!> @brief parallelized calculation of stress and corresponding tangent at material points
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!--------------------------------------------------------------------------------------------------
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subroutine materialpoint_stressAndItsTangent(dt)
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real(pReal), intent(in) :: dt !< time increment
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integer :: &
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NiterationHomog, &
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NiterationMPstate, &
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i, & !< integration point number
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e, & !< element number
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myNgrains
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real(pReal), dimension(discretization_nIPs,discretization_Nelems) :: &
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subFrac, &
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subStep
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logical, dimension(discretization_nIPs,discretization_Nelems) :: &
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requested, &
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converged
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logical, dimension(2,discretization_nIPs,discretization_Nelems) :: &
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doneAndHappy
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integer :: m
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!--------------------------------------------------------------------------------------------------
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! initialize restoration points
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2);
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call constitutive_initializeRestorationPoints(i,e)
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subFrac(i,e) = 0.0_pReal
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converged(i,e) = .false. ! pretend failed step ...
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subStep(i,e) = 1.0_pReal/num%subStepSizeHomog ! ... larger then the requested calculation
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requested(i,e) = .true. ! everybody requires calculation
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if (homogState(material_homogenizationAt(e))%sizeState > 0) &
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homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
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homogState(material_homogenizationAt(e))%State0( :,material_homogenizationMemberAt(i,e))
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if (damageState(material_homogenizationAt(e))%sizeState > 0) &
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damageState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
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damageState(material_homogenizationAt(e))%State0( :,material_homogenizationMemberAt(i,e))
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enddo
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enddo
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NiterationHomog = 0
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cutBackLooping: do while (.not. terminallyIll .and. &
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any(subStep(FEsolving_execIP(1):FEsolving_execIP(2),&
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FEsolving_execElem(1):FEsolving_execElem(2)) > num%subStepMinHomog))
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!$OMP PARALLEL DO PRIVATE(m)
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elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Nconstituents(material_homogenizationAt(e))
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IpLooping1: do i = FEsolving_execIP(1),FEsolving_execIP(2)
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if (converged(i,e)) then
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subFrac(i,e) = subFrac(i,e) + subStep(i,e)
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subStep(i,e) = min(1.0_pReal-subFrac(i,e),num%stepIncreaseHomog*subStep(i,e)) ! introduce flexibility for step increase/acceleration
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steppingNeeded: if (subStep(i,e) > num%subStepMinHomog) then
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! wind forward grain starting point
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call constitutive_windForward(i,e)
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if(homogState(material_homogenizationAt(e))%sizeState > 0) &
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homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
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homogState(material_homogenizationAt(e))%State (:,material_homogenizationMemberAt(i,e))
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if(damageState(material_homogenizationAt(e))%sizeState > 0) &
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damageState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
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damageState(material_homogenizationAt(e))%State (:,material_homogenizationMemberAt(i,e))
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endif steppingNeeded
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else
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if ( (myNgrains == 1 .and. subStep(i,e) <= 1.0 ) .or. & ! single grain already tried internal subStepping in crystallite
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num%subStepSizeHomog * subStep(i,e) <= num%subStepMinHomog ) then ! would require too small subStep
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! cutback makes no sense
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if (.not. terminallyIll) then ! so first signals terminally ill...
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print*, ' Integration point ', i,' at element ', e, ' terminally ill'
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endif
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terminallyIll = .true. ! ...and kills all others
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else ! cutback makes sense
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subStep(i,e) = num%subStepSizeHomog * subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
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call crystallite_restore(i,e,subStep(i,e) < 1.0_pReal)
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call constitutive_restore(i,e)
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if(homogState(material_homogenizationAt(e))%sizeState > 0) &
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homogState(material_homogenizationAt(e))%State( :,material_homogenizationMemberAt(i,e)) = &
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homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e))
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if(damageState(material_homogenizationAt(e))%sizeState > 0) &
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damageState(material_homogenizationAt(e))%State( :,material_homogenizationMemberAt(i,e)) = &
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damageState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e))
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endif
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endif
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if (subStep(i,e) > num%subStepMinHomog) then
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requested(i,e) = .true.
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doneAndHappy(1:2,i,e) = [.false.,.true.]
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endif
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enddo IpLooping1
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enddo elementLooping1
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!$OMP END PARALLEL DO
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NiterationMPstate = 0
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convergenceLooping: do while (.not. terminallyIll .and. &
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any( requested(:,FEsolving_execELem(1):FEsolving_execElem(2)) &
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.and. .not. doneAndHappy(1,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
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) .and. &
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NiterationMPstate < num%nMPstate)
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NiterationMPstate = NiterationMPstate + 1
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!--------------------------------------------------------------------------------------------------
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! deformation partitioning
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!$OMP PARALLEL DO PRIVATE(myNgrains,m)
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elementLooping2: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Nconstituents(material_homogenizationAt(e))
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IpLooping2: do i = FEsolving_execIP(1),FEsolving_execIP(2)
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if(requested(i,e) .and. .not. doneAndHappy(1,i,e)) then ! requested but not yet done
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m = (e-1)*discretization_nIPs + i
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call mech_partition(homogenization_F0(1:3,1:3,m) &
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+ (homogenization_F(1:3,1:3,m)-homogenization_F0(1:3,1:3,m))&
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*(subStep(i,e)+subFrac(i,e)), &
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i,e)
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crystallite_dt(1:myNgrains,i,e) = dt*subStep(i,e) ! propagate materialpoint dt to grains
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crystallite_requested(1:myNgrains,i,e) = .true. ! request calculation for constituents
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else
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crystallite_requested(1:myNgrains,i,e) = .false. ! calculation for constituents not required anymore
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endif
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enddo IpLooping2
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enddo elementLooping2
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!$OMP END PARALLEL DO
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!--------------------------------------------------------------------------------------------------
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! crystallite integration
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converged = crystallite_stress() !ToDo: MD not sure if that is the best logic
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!--------------------------------------------------------------------------------------------------
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! state update
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!$OMP PARALLEL DO PRIVATE(m)
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elementLooping3: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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IpLooping3: do i = FEsolving_execIP(1),FEsolving_execIP(2)
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if (requested(i,e) .and. .not. doneAndHappy(1,i,e)) then
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if (.not. converged(i,e)) then
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doneAndHappy(1:2,i,e) = [.true.,.false.]
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else
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m = (e-1)*discretization_nIPs + i
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doneAndHappy(1:2,i,e) = updateState(dt*subStep(i,e), &
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homogenization_F0(1:3,1:3,m) &
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+ (homogenization_F(1:3,1:3,m)-homogenization_F0(1:3,1:3,m)) &
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*(subStep(i,e)+subFrac(i,e)), &
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i,e)
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converged(i,e) = all(doneAndHappy(1:2,i,e)) ! converged if done and happy
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endif
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endif
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enddo IpLooping3
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enddo elementLooping3
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!$OMP END PARALLEL DO
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enddo convergenceLooping
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NiterationHomog = NiterationHomog + 1
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enddo cutBackLooping
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if (.not. terminallyIll ) then
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call crystallite_orientations() ! calculate crystal orientations
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!$OMP PARALLEL DO
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elementLooping4: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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IpLooping4: do i = FEsolving_execIP(1),FEsolving_execIP(2)
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call mech_homogenize(i,e)
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enddo IpLooping4
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enddo elementLooping4
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!$OMP END PARALLEL DO
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else
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print'(/,a,/)', ' << HOMOG >> Material Point terminally ill'
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endif
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end subroutine materialpoint_stressAndItsTangent
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!--------------------------------------------------------------------------------------------------
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!> @brief update the internal state of the homogenization scheme and tell whether "done" and
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!> "happy" with result
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!--------------------------------------------------------------------------------------------------
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function updateState(subdt,subF,ip,el)
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real(pReal), intent(in) :: &
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subdt !< current time step
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real(pReal), intent(in), dimension(3,3) :: &
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subF
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integer, intent(in) :: &
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ip, & !< integration point
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el !< element number
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integer :: c
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logical, dimension(2) :: updateState
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real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
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updateState = .true.
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chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
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case (HOMOGENIZATION_RGC_ID) chosenHomogenization
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do c=1,homogenization_Nconstituents(material_homogenizationAt(el))
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dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
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enddo
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updateState = &
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updateState .and. &
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mech_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
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crystallite_partitionedF(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
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crystallite_partitionedF0(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el),&
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subF,&
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subdt, &
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dPdFs, &
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ip, &
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el)
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end select chosenHomogenization
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end function updateState
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!--------------------------------------------------------------------------------------------------
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!> @brief writes homogenization results to HDF5 output file
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!--------------------------------------------------------------------------------------------------
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subroutine homogenization_results
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use material, only: &
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material_homogenization_type => homogenization_type
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integer :: p
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character(len=:), allocatable :: group_base,group
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call results_closeGroup(results_addGroup('current/homogenization/'))
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do p=1,size(material_name_homogenization)
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group_base = 'current/homogenization/'//trim(material_name_homogenization(p))
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call results_closeGroup(results_addGroup(group_base))
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call mech_results(group_base,p)
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group = trim(group_base)//'/damage'
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call results_closeGroup(results_addGroup(group))
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select case(damage_type(p))
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case(DAMAGE_NONLOCAL_ID)
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call damage_nonlocal_results(p,group)
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end select
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group = trim(group_base)//'/thermal'
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call results_closeGroup(results_addGroup(group))
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select case(thermal_type(p))
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case(THERMAL_CONDUCTION_ID)
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call thermal_conduction_results(p,group)
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end select
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enddo
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end subroutine homogenization_results
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end module homogenization
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