replace log scaling with geometric regression scaling
more flexibility in time discretization via parameter 'r'. Also, changed variable names to reflect names in loadcase.yaml
This commit is contained in:
Martin Diehl
parent
a3dc8d8ab8
commit
5bed0787ed
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit a6be226f2ab08cfa44adabf37168f4d952d6174f
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Subproject commit 803cf6bd65655159cb2f9a5de81d008ab75e061c
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@ -489,6 +489,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
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msg = 'mask consistency violated in grid load case'
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case (832)
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msg = 'ill-defined L (line partly defined) in grid load case'
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case (833)
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msg = 'non-positive ratio for geometric progression'
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case (834)
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msg = 'negative time increment in grid load case'
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case (835)
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@ -27,6 +27,19 @@ program DAMASK_grid
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implicit none
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type :: tLoadCase
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type(rotation) :: rot !< rotation of BC
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type(tBoundaryCondition) :: stress, & !< stress BC
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deformation !< deformation BC (dot_F, F, or L)
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real(pReal) :: t, & !< length of increment
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r !< ratio of geometric progression
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integer :: N, & !< number of increments
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f_out, & !< frequency of result writes
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f_restart !< frequency of restart writes
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logical :: drop_guessing !< do not follow trajectory of former loadcase
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integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
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end type tLoadCase
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!--------------------------------------------------------------------------------------------------
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! variables related to information from load case and geom file
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real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
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@ -201,38 +214,36 @@ program DAMASK_grid
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loadCases(l)%stress%mask = transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(l)%stress%values = math_9to33(temp_valueVector)
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end select
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call loadCases(l)%rot%fromAxisAngle(step_mech%get_asFloats('R', &
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defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
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call loadCases(l)%rot%fromAxisAngle(step_mech%get_asFloats('R',defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
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enddo readMech
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if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/F/dot_F missing')
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step_discretization => load_step%get('discretization')
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if(.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing')
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if(.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing')
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loadCases(l)%time = step_discretization%get_asFloat('t')
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loadCases(l)%incs = step_discretization%get_asInt ('N')
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loadCases(l)%logscale = step_discretization%get_asBool ('log_timestep', defaultVal= .false.)
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loadCases(l)%outputfrequency = step_discretization%get_asInt ('f_out', defaultVal=1)
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loadCases(l)%restartfrequency = step_discretization%get_asInt ('f_restart', defaultVal=huge(0))
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loadCases(l)%t = step_discretization%get_asFloat('t')
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loadCases(l)%N = step_discretization%get_asInt ('N')
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loadCases(l)%r = step_discretization%get_asFloat('r', defaultVal= 1.0_pReal)
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loadCases(l)%f_out = step_discretization%get_asInt ('f_out', defaultVal=1)
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loadCases(l)%f_restart = step_discretization%get_asInt ('f_restart', defaultVal=huge(0))
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loadCases(l)%followFormerTrajectory = .not. (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. &
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merge(.false.,.true.,l > 1)) ! do not continue to predict deformation along former trajectory
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loadCases(l)%drop_guessing = (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. &
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merge(.false.,.true.,l > 1))
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reportAndCheck: if (worldrank == 0) then
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write (loadcase_string, '(i0)' ) l
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print'(/,a,i0)', ' load case: ', l
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if (.not. loadCases(l)%followFormerTrajectory) &
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print*, ' drop guessing along trajectory'
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print*, ' drop_guessing:', loadCases(l)%drop_guessing
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if (loadCases(l)%deformation%myType == 'L') then
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do j = 1, 3
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if (any(loadCases(l)%deformation%mask(j,1:3) .eqv. .true.) .and. &
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any(loadCases(l)%deformation%mask(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
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enddo
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print*, ' velocity gradient:'
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print*, ' L:'
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else if (loadCases(l)%deformation%myType == 'F') then
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print*, ' deformation gradient at end of load case:'
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print*, ' F:'
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else if (loadCases(l)%deformation%myType == 'dot_F') then
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print*, ' deformation gradient rate:'
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print*, ' dot_F:'
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endif
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do i = 1, 3; do j = 1, 3
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if(loadCases(l)%deformation%mask(i,j)) then
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@ -245,27 +256,32 @@ program DAMASK_grid
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if (any(loadCases(l)%stress%mask .eqv. loadCases(l)%deformation%mask)) errorID = 831 ! exclusive or masking only
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if (any(loadCases(l)%stress%mask .and. transpose(loadCases(l)%stress%mask) .and. (math_I3<1))) &
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errorID = 838 ! no rotation is allowed by stress BC
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print*, ' stress / GPa:'
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print*, ' P / MPa:'
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do i = 1, 3; do j = 1, 3
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if(loadCases(l)%stress%mask(i,j)) then
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write(IO_STDOUT,'(2x,f12.7)',advance='no') loadCases(l)%stress%values(i,j)*1e-9_pReal
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write(IO_STDOUT,'(2x,f12.4)',advance='no') loadCases(l)%stress%values(i,j)*1e-6_pReal
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else
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write(IO_STDOUT,'(2x,12a)',advance='no') ' x '
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endif
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enddo; write(IO_STDOUT,'(/)',advance='no')
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enddo
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if (any(dNeq(loadCases(l)%rot%asMatrix(), math_I3))) &
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write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
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write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'R:',&
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transpose(loadCases(l)%rot%asMatrix())
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if (loadCases(l)%time < 0.0_pReal) errorID = 834 ! negative time increment
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print'(a,f0.3)', ' time: ', loadCases(l)%time
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if (loadCases(l)%incs < 1) errorID = 835 ! non-positive incs count
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print'(a,i0)', ' increments: ', loadCases(l)%incs
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if (loadCases(l)%outputfrequency < 1) errorID = 836 ! non-positive result frequency
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print'(a,i0)', ' output frequency: ', loadCases(l)%outputfrequency
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if (loadCases(l)%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
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if (loadCases(l)%restartfrequency < huge(0)) &
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print'(a,i0)', ' restart frequency: ', loadCases(l)%restartfrequency
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if (loadCases(l)%t < 0.0_pReal) errorID = 834
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print'(a,f0.3)', ' t: ', loadCases(l)%t
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if (loadCases(l)%N < 1) errorID = 835
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print'(a,i0)', ' N: ', loadCases(l)%N
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if (loadCases(l)%f_out < 1) errorID = 836
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print'(a,i0)', ' f_out: ', loadCases(l)%f_out
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if (loadCases(l)%r <= 0.0) errorID = 833
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print'(a,f0.3)', ' r: ', loadCases(l)%r
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if (loadCases(l)%f_restart < 1) errorID = 839
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if (loadCases(l)%f_restart < huge(0)) &
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print'(a,i0)', ' f_restart: ', loadCases(l)%f_restart
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if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
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endif reportAndCheck
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enddo
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@ -308,26 +324,19 @@ program DAMASK_grid
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loadCaseLooping: do l = 1, size(loadCases)
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time0 = time ! load case start time
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guess = loadCases(l)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
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guess = .not. loadCases(l)%drop_guessing ! change of load case? homogeneous guess for the first inc
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incLooping: do inc = 1, loadCases(l)%incs
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incLooping: do inc = 1, loadCases(l)%N
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totalIncsCounter = totalIncsCounter + 1
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!--------------------------------------------------------------------------------------------------
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! forwarding time
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timeIncOld = timeinc ! last timeinc that brought former inc to an end
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if (.not. loadCases(l)%logscale) then ! linear scale
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timeinc = loadCases(l)%time/real(loadCases(l)%incs,pReal)
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if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then ! linear scale
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timeinc = loadCases(l)%t/real(loadCases(l)%N,pReal)
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else
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if (l == 1) then ! 1st load case of logarithmic scale
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timeinc = loadCases(1)%time*(2.0_pReal**real(max(inc-1,1)-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
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else ! not-1st load case of logarithmic scale
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timeinc = time0 * &
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( (1.0_pReal + loadCases(l)%time/time0 )**(real( inc ,pReal)/&
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real(loadCases(l)%incs ,pReal))&
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-(1.0_pReal + loadCases(l)%time/time0 )**(real( inc-1 ,pReal)/&
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real(loadCases(l)%incs ,pReal)))
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endif
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timeinc = loadCases(l)%t * (loadCases(l)%r**(inc-1)-loadCases(l)%r**inc) &
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/ (1.0_pReal-loadCases(l)%r**loadCases(l)%N)
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endif
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timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
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@ -338,7 +347,7 @@ program DAMASK_grid
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stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
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subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
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remainingLoadCaseTime = loadCases(l)%time+time0 - time
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remainingLoadCaseTime = loadCases(l)%t+time0 - time
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time = time + timeinc ! forward target time
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stepFraction = stepFraction + 1 ! count step
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@ -347,11 +356,11 @@ program DAMASK_grid
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print'(/,a)', ' ###########################################################################'
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print'(1x,a,es12.5,6(a,i0))', &
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'Time', time, &
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's: Increment ', inc,'/',loadCases(l)%incs,&
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's: Increment ', inc,'/',loadCases(l)%N,&
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'-', stepFraction,'/',subStepFactor**cutBackLevel,&
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' of load case ', l,'/',size(loadCases)
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write(incInfo,'(4(a,i0))') &
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'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
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'Increment ',totalIncsCounter,'/',sum(loadCases%N),&
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'-', stepFraction,'/',subStepFactor**cutBackLevel
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flush(IO_STDOUT)
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@ -420,7 +429,7 @@ program DAMASK_grid
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else ! no more options to continue
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call IO_warning(850)
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if (worldrank == 0) close(statUnit)
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call quit(0) ! quit
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call quit(0)
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endif
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enddo subStepLooping
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@ -433,12 +442,12 @@ program DAMASK_grid
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print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
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endif; flush(IO_STDOUT)
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if (mod(inc,loadCases(l)%outputFrequency) == 0) then ! at output frequency
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if (mod(inc,loadCases(l)%f_out) == 0) then
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print'(1/,a)', ' ... writing results to file ......................................'
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flush(IO_STDOUT)
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call CPFEM_results(totalIncsCounter,time)
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endif
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if (mod(inc,loadCases(l)%restartFrequency) == 0) then
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if (mod(inc,loadCases(l)%f_restart) == 0) then
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call mech_restartWrite
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call CPFEM_restartWrite
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endif
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@ -87,19 +87,6 @@ module spectral_utilities
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character(len=:), allocatable :: myType
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end type tBoundaryCondition
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type, public :: tLoadCase
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type(rotation) :: rot !< rotation of BC
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type(tBoundaryCondition) :: stress, & !< stress BC
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deformation !< deformation BC (dot_F, F, or L)
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real(pReal) :: time !< length of increment
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integer :: incs, & !< number of increments
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outputfrequency, & !< frequency of result writes
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restartfrequency !< frequency of restart writes
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logical :: followFormerTrajectory, & !< follow trajectory of former loadcase
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logscale !< logarithmic time inc flag
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integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
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end type tLoadCase
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type, public :: tSolutionParams
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real(pReal), dimension(3,3) :: stress_BC
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logical, dimension(3,3) :: stress_mask
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