avoid public variables
This commit is contained in:
Martin Diehl
parent
ec53e4c318
commit
d50d55cef3
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@ -71,7 +71,6 @@ module crystallite
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crystallite_requested !< used by upper level (homogenization) to request crystallite calculation
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logical, dimension(:,:,:), allocatable :: &
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crystallite_converged, & !< convergence flag
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crystallite_todo, & !< flag to indicate need for further computation
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crystallite_localPlasticity !< indicates this grain to have purely local constitutive law
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type :: tOutput !< new requested output (per phase)
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@ -98,7 +97,7 @@ module crystallite
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type(tNumerics) :: num ! numerics parameters. Better name?
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procedure(), pointer :: integrateState
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procedure(integrateStateFPI), pointer :: integrateState
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public :: &
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crystallite_init, &
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@ -161,7 +160,6 @@ subroutine crystallite_init
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allocate(crystallite_localPlasticity(cMax,iMax,eMax), source=.true.)
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allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
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allocate(crystallite_todo(cMax,iMax,eMax), source=.false.)
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allocate(crystallite_converged(cMax,iMax,eMax), source=.true.)
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num%subStepMinCryst = config_numerics%getFloat('substepmincryst', defaultVal=1.0e-3_pReal)
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@ -301,6 +299,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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e, & !< counter in element loop
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startIP, endIP, &
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s
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logical, dimension(homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: todo !ToDo: need to set some values to false in hase of different Ngrains
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite),debug_levelSelective) /= 0 &
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@ -344,7 +343,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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crystallite_subF0(1:3,1:3,c,i,e) = crystallite_partionedF0(1:3,1:3,c,i,e)
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crystallite_subFrac(c,i,e) = 0.0_pReal
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crystallite_subStep(c,i,e) = 1.0_pReal/num%subStepSizeCryst
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crystallite_todo(c,i,e) = .true.
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todo(c,i,e) = .true.
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crystallite_converged(c,i,e) = .false. ! pretend failed step of 1/subStepSizeCryst
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endif homogenizationRequestsCalculation
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enddo; enddo
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@ -361,7 +360,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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endif singleRun
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NiterationCrystallite = 0
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cutbackLooping: do while (any(crystallite_todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
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cutbackLooping: do while (any(todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
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NiterationCrystallite = NiterationCrystallite + 1
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#ifdef DEBUG
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@ -380,8 +379,8 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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crystallite_subStep(c,i,e) = min(1.0_pReal - crystallite_subFrac(c,i,e), &
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num%stepIncreaseCryst * crystallite_subStep(c,i,e))
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crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > 0.0_pReal ! still time left to integrate on?
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if (crystallite_todo(c,i,e)) then
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todo(c,i,e) = crystallite_subStep(c,i,e) > 0.0_pReal ! still time left to integrate on?
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if (todo(c,i,e)) then
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crystallite_subF0 (1:3,1:3,c,i,e) = crystallite_subF(1:3,1:3,c,i,e)
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crystallite_subLp0(1:3,1:3,c,i,e) = crystallite_Lp (1:3,1:3,c,i,e)
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crystallite_subLi0(1:3,1:3,c,i,e) = crystallite_Li (1:3,1:3,c,i,e)
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@ -415,12 +414,12 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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enddo
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > num%subStepMinCryst ! still on track or already done (beyond repair)
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todo(c,i,e) = crystallite_subStep(c,i,e) > num%subStepMinCryst ! still on track or already done (beyond repair)
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endif
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!--------------------------------------------------------------------------------------------------
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! prepare for integration
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if (crystallite_todo(c,i,e)) then
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if (todo(c,i,e)) then
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crystallite_subF(1:3,1:3,c,i,e) = crystallite_subF0(1:3,1:3,c,i,e) &
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+ crystallite_subStep(c,i,e) *( crystallite_partionedF (1:3,1:3,c,i,e) &
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-crystallite_partionedF0(1:3,1:3,c,i,e))
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@ -438,9 +437,9 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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!--------------------------------------------------------------------------------------------------
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! integrate --- requires fully defined state array (basic + dependent state)
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if (any(crystallite_todo)) call integrateState ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
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if (any(todo)) call integrateState(todo) ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
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where(.not. crystallite_converged .and. crystallite_subStep > num%subStepMinCryst) & ! do not try non-converged but fully cutbacked any further
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crystallite_todo = .true. ! TODO: again unroll this into proper elementloop to avoid N^2 for single point evaluation
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todo = .true. ! TODO: again unroll this into proper elementloop to avoid N^2 for single point evaluation
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enddo cutbackLooping
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@ -998,8 +997,9 @@ end function integrateStress
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!> @brief integrate stress, state with adaptive 1st order explicit Euler method
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!> using Fixed Point Iteration to adapt the stepsize
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateFPI
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subroutine integrateStateFPI(todo)
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logical, dimension(:,:,:), intent(in) :: todo
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integer :: &
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NiterationState, & !< number of iterations in state loop
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e, & !< element index in element loop
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@ -1023,7 +1023,7 @@ subroutine integrateStateFPI
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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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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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if(todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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@ -1144,7 +1144,9 @@ end subroutine integrateStateFPI
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate state with 1st order explicit Euler method
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateEuler
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subroutine integrateStateEuler(todo)
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logical, dimension(:,:,:), intent(in) :: todo
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integer :: &
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e, & !< element index in element loop
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@ -1162,7 +1164,7 @@ subroutine integrateStateEuler
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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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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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if(todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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@ -1210,7 +1212,9 @@ end subroutine integrateStateEuler
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state with 1st order Euler method with adaptive step size
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateAdaptiveEuler
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subroutine integrateStateAdaptiveEuler(todo)
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logical, dimension(:,:,:), intent(in) :: todo
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integer :: &
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e, & ! element index in element loop
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@ -1231,7 +1235,7 @@ subroutine integrateStateAdaptiveEuler
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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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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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if(todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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@ -1309,7 +1313,9 @@ end subroutine integrateStateAdaptiveEuler
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state with 4th order explicit Runge Kutta method
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateRK4
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subroutine integrateStateRK4(todo)
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logical, dimension(:,:,:), intent(in) :: todo
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real(pReal), dimension(3,3), parameter :: &
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A = reshape([&
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@ -1342,7 +1348,7 @@ subroutine integrateStateRK4
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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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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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if(todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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@ -1450,7 +1456,9 @@ end subroutine integrateStateRK4
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!> @brief integrate stress, state with 5th order Runge-Kutta Cash-Karp method with
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!> adaptive step size (use 5th order solution to advance = "local extrapolation")
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateRKCK45
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subroutine integrateStateRKCK45(todo)
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logical, dimension(:,:,:), intent(in) :: todo
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real(pReal), dimension(5,5), parameter :: &
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A = reshape([&
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@ -1492,7 +1500,7 @@ subroutine integrateStateRKCK45
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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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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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if(todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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