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@ -34,18 +34,15 @@ module grid_mech_FEM
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itmin, & !< minimum number of iterations
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itmax !< maximum number of iterations
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real(pReal) :: &
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err_div, &
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divTol, &
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BCTol, &
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eps_div_atol, & !< absolute tolerance for equilibrium
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eps_div_rtol, & !< relative tolerance for equilibrium
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eps_stress_atol, & !< absolute tolerance for fullfillment of stress BC
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eps_stress_rtol !< relative tolerance for fullfillment of stress BC
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end type tNumerics
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type(tNumerics) :: num
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logical :: &
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debugRotation
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type(tNumerics) :: num ! numerics parameters. Better name?
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logical :: debugRotation
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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@ -72,7 +69,6 @@ module grid_mech_FEM
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P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
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character(len=:), allocatable :: incInfo !< time and increment information
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real(pReal), dimension(3,3,3,3) :: &
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C_volAvg = 0.0_pReal, & !< current volume average stiffness
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C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
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@ -99,7 +95,6 @@ contains
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subroutine grid_mech_FEM_init
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real(pReal) :: HGCoeff = 0.0e-2_pReal
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PetscInt, dimension(0:worldsize-1) :: localK
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real(pReal), dimension(3,3) :: &
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temp33_Real = 0.0_pReal
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real(pReal), dimension(4,8) :: &
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@ -111,20 +106,21 @@ subroutine grid_mech_FEM_init
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-1.0_pReal, 1.0_pReal,-1.0_pReal,-1.0_pReal, &
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1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, &
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1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
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real(pReal), dimension(3,3,3,3) :: devNull
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PetscErrorCode :: ierr
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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u_current,u_lastInc
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PetscInt, dimension(0:worldsize-1) :: localK
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integer(HID_T) :: fileHandle, groupHandle
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character(len=pStringLen) :: &
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fileName
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class(tNode), pointer :: &
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num_grid, &
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debug_grid
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real(pReal), dimension(3,3,3,3) :: devNull
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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u_current,u_lastInc
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print'(/,a)', ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
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!-----------------------------------------------------------------------------------------------
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!-------------------------------------------------------------------------------------------------
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! debugging options
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debug_grid => config_debug%get('grid', defaultVal=emptyList)
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debugRotation = debug_grid%contains('rotation')
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@ -242,6 +238,7 @@ subroutine grid_mech_FEM_init
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F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
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F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3)
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endif restartRead
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materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
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call utilities_updateCoords(F)
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call utilities_constitutiveResponse(P_current,temp33_Real,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2
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@ -96,18 +96,17 @@ subroutine grid_mech_spectral_basic_init
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real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
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real(pReal), dimension(3,3) :: &
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temp33_Real = 0.0_pReal
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class (tNode), pointer :: &
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num_grid, &
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debug_grid
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PetscErrorCode :: ierr
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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F ! pointer to solution data
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PetscInt, dimension(worldsize) :: localK
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PetscInt, dimension(0:worldsize-1) :: localK
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integer(HID_T) :: fileHandle, groupHandle
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integer :: fileUnit
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character(len=pStringLen) :: &
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fileName
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class (tNode), pointer :: &
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num_grid, &
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debug_grid
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print'(/,a)', ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
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@ -157,8 +156,8 @@ subroutine grid_mech_spectral_basic_init
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
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call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
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localK = 0
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localK(worldrank+1) = grid3
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localK = 0
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localK(worldrank) = grid3
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call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
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call DMDACreate3d(PETSC_COMM_WORLD, &
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DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
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@ -202,8 +201,8 @@ subroutine grid_mech_spectral_basic_init
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endif restartRead
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materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
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call Utilities_updateCoords(reshape(F,shape(F_lastInc)))
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call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
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call utilities_updateCoords(reshape(F,shape(F_lastInc)))
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call utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
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reshape(F,shape(F_lastInc)), & ! target F
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0.0_pReal) ! time increment
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
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@ -288,7 +287,7 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
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type(rotation), intent(in) :: &
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rotation_BC
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PetscErrorCode :: ierr
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PetscScalar, dimension(:,:,:,:), pointer :: F
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PetscScalar, pointer, dimension(:,:,:,:) :: F
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!--------------------------------------------------------------------------------------------------
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! set module wide available data
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@ -334,7 +333,7 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
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!--------------------------------------------------------------------------------------------------
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! update average and local deformation gradients
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F_aim = F_aim_lastInc + F_aimDot * timeinc
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F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
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F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
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rotation_BC%rotate(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
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@ -368,7 +367,7 @@ subroutine grid_mech_spectral_basic_restartWrite
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call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
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print'(a)', ' writing solver data required for restart to file'; flush(6)
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print*, 'writing solver data required for restart to file'; flush(6)
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write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
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fileHandle = HDF5_openFile(fileName,'w')
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@ -462,6 +461,7 @@ subroutine formResidual(in, F, &
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call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
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if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
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!--------------------------------------------------------------------------------------------------
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! begin of new iteration
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newIteration: if (totalIter <= PETScIter) then
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@ -484,8 +484,8 @@ subroutine formResidual(in, F, &
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
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F_aim = F_aim - deltaF_aim
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deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC) ! S = 0.0 for no bc
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F_aim = F_aim -deltaF_aim
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err_BC = maxval(abs(params%stress_mask * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
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!--------------------------------------------------------------------------------------------------
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@ -493,7 +493,7 @@ subroutine formResidual(in, F, &
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tensorField_real = 0.0_pReal
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tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
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call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
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err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
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err_div = utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
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call utilities_fourierGammaConvolution(params%rotation_BC%rotate(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
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call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
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@ -15,7 +15,6 @@ module grid_mech_spectral_polarisation
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use DAMASK_interface
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use HDF5_utilities
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use math
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use rotations
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use spectral_utilities
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use FEsolving
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use config
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@ -108,10 +107,6 @@ subroutine grid_mech_spectral_polarisation_init
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real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
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real(pReal), dimension(3,3) :: &
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temp33_Real = 0.0_pReal
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class (tNode), pointer :: &
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num_grid, &
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debug_grid
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PetscErrorCode :: ierr
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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FandF_tau, & ! overall pointer to solution data
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@ -122,13 +117,16 @@ subroutine grid_mech_spectral_polarisation_init
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integer :: fileUnit
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character(len=pStringLen) :: &
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fileName
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class (tNode), pointer :: &
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num_grid, &
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debug_grid
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print'(/,a)', ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
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print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
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print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
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!------------------------------------------------------------------------------------------------
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!-------------------------------------------------------------------------------------------------
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! debugging options
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debug_grid => config_debug%get('grid',defaultVal=emptyList)
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debugRotation = debug_grid%contains('rotation')
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@ -136,6 +134,7 @@ subroutine grid_mech_spectral_polarisation_init
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!-------------------------------------------------------------------------------------------------
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! read numerical parameters and do sanity checks
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num_grid => config_numerics%get('grid',defaultVal=emptyDict)
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num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
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num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
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num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
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@ -228,8 +227,8 @@ subroutine grid_mech_spectral_polarisation_init
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endif restartRead
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materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
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call Utilities_updateCoords(reshape(F,shape(F_lastInc)))
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call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
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call utilities_updateCoords(reshape(F,shape(F_lastInc)))
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call utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
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reshape(F,shape(F_lastInc)), & ! target F
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0.0_pReal) ! time increment
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call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
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@ -277,7 +276,7 @@ function grid_mech_spectral_polarisation_solution(incInfoIn) result(solution)
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask>.5_pReal,C_volAvg)
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if (num%update_gamma) then
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if(num%update_gamma) then
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call utilities_updateGamma(C_minMaxAvg)
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C_scale = C_minMaxAvg
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S_scale = math_invSym3333(C_minMaxAvg)
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@ -320,7 +319,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
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type(rotation), intent(in) :: &
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rotation_BC
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PetscErrorCode :: ierr
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PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
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PetscScalar, pointer, dimension(:,:,:,:) :: FandF_tau, F, F_tau
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integer :: i, j, k
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real(pReal), dimension(3,3) :: F_lambda33
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@ -588,7 +587,7 @@ subroutine formResidual(in, FandF_tau, &
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
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F_aim = F_aim - math_mul3333xx33(S, P_av - params%stress_BC) ! S = 0.0 for no bc
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err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim &
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-params%rotation_BC%rotate(F_av)) + &
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params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
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@ -596,7 +595,7 @@ subroutine formResidual(in, FandF_tau, &
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tensorField_real = 0.0_pReal
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tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
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call utilities_FFTtensorForward
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err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
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err_div = utilities_divergenceRMS() !< root mean squared error in divergence of stress
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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@ -615,7 +614,7 @@ subroutine formResidual(in, FandF_tau, &
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tensorField_real = 0.0_pReal
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tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
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call utilities_FFTtensorForward
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err_curl = Utilities_curlRMS()
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err_curl = utilities_curlRMS()
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end subroutine formResidual
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