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improved readability

This commit is contained in:
Martin Diehl 2019-01-30 12:36:02 +01:00
parent 3dd21177a0
commit 39e766bba0
1 changed files with 73 additions and 66 deletions
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127
src/crystallite.f90
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@ -1758,10 +1758,6 @@ end subroutine integrateStateEuler
!> @brief integrate stress, state with 1st order Euler method with adaptive step size !> @brief integrate stress, state with 1st order Euler method with adaptive step size
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateAdaptiveEuler() subroutine integrateStateAdaptiveEuler()
use prec, only: &
dNeq0
use numerics, only: &
rTol_crystalliteState
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element, &
mesh_NcpElems, & mesh_NcpElems, &
@ -1796,11 +1792,6 @@ subroutine integrateStateAdaptiveEuler()
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
residuum_source residuum_source
real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
residuum_plastic_rel
real(pReal), dimension(constitutive_source_maxSizeDotState) :: &
residuum_source_rel
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! contribution to state and relative residui and from Euler integration ! contribution to state and relative residui and from Euler integration
call update_dotState(1.0_pReal) call update_dotState(1.0_pReal)
@ -1845,16 +1836,8 @@ subroutine integrateStateAdaptiveEuler()
residuum_plastic(1:sizeDotState,g,i,e) = residuum_plastic(1:sizeDotState,g,i,e) & residuum_plastic(1:sizeDotState,g,i,e) = residuum_plastic(1:sizeDotState,g,i,e) &
+ 0.5_pReal * plasticState(p)%dotState(:,c) * crystallite_subdt(g,i,e) + 0.5_pReal * plasticState(p)%dotState(:,c) * crystallite_subdt(g,i,e)
where(dNeq0(plasticState(p)%dotState(1:sizeDotState,c))) crystallite_converged(g,i,e) = converged(residuum_plastic(1:sizeDotState,g,i,e), &
residuum_plastic_rel(1:sizeDotState) = residuum_plastic(1:sizeDotState,g,i,e) & plasticState(p)%dotState(1:sizeDotState,c), &
/ plasticState(p)%dotState(1:sizeDotState,c)
else where
residuum_plastic_rel(1:sizeDotState) = 0.0_pReal
end where
crystallite_converged(g,i,e) = all(abs(residuum_plastic_rel(1:sizeDotState)) < &
rTol_crystalliteState .or. &
abs(residuum_plastic(1:sizeDotState,g,i,e)) < &
plasticState(p)%aTolState(1:sizeDotState)) plasticState(p)%aTolState(1:sizeDotState))
do s = 1_pInt, phase_Nsources(p) do s = 1_pInt, phase_Nsources(p)
@ -1863,25 +1846,46 @@ subroutine integrateStateAdaptiveEuler()
residuum_source(1:sizeDotState,s,g,i,e) = residuum_source(1:sizeDotState,s,g,i,e) & residuum_source(1:sizeDotState,s,g,i,e) = residuum_source(1:sizeDotState,s,g,i,e) &
+ 0.5_pReal * sourceState(p)%p(s)%dotState(:,c) * crystallite_subdt(g,i,e) + 0.5_pReal * sourceState(p)%p(s)%dotState(:,c) * crystallite_subdt(g,i,e)
where(dNeq0(sourceState(p)%p(s)%dotState(1:sizeDotState,c))) crystallite_converged(g,i,e) = crystallite_converged(g,i,e) .and.&
residuum_source_rel(1:sizeDotState) = residuum_source(1:sizeDotState,s,g,i,e) & converged(residuum_source(1:sizeDotState,s,g,i,e), &
/ sourceState(p)%p(s)%dotState(1:sizeDotState,c) sourceState(p)%p(s)%dotState(1:sizeDotState,c), &
else where
residuum_source_rel(1:SizeDotState) = 0.0_pReal
end where
crystallite_converged(g,i,e) = crystallite_converged(g,i,e) .and. &
all(abs(residuum_source_rel(1:sizeDotState)) < &
rTol_crystalliteState .or. &
abs(residuum_source(1:sizeDotState,s,g,i,e)) < &
sourceState(p)%p(s)%aTolState(1:sizeDotState)) sourceState(p)%p(s)%aTolState(1:sizeDotState))
enddo enddo
endif endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
contains
!--------------------------------------------------------------------------------------------------
!> @brief determines whether a point is converged
!--------------------------------------------------------------------------------------------------
logical pure function converged(residuum,dotState,absoluteTolerance)
use prec, only: &
dNeq0
use numerics, only: &
rTol_crystalliteState
implicit none
real(pReal), dimension(:), intent(in) ::&
residuum, dotState, absoluteTolerance
real(pReal), dimension(size(residuum,1)) ::&
residuum_rel
where(dNeq0(dotState))
residuum_rel = residuum/dotState
else where
residuum_rel = 0.0_pReal
end where
converged = all(abs(residuum_rel) < rTol_crystalliteState .or. &
abs(residuum) < absoluteTolerance)
end function converged
end subroutine integrateStateAdaptiveEuler end subroutine integrateStateAdaptiveEuler
@ -1958,10 +1962,6 @@ end subroutine integrateStateRK4
!> adaptive step size (use 5th order solution to advance = "local extrapolation") !> adaptive step size (use 5th order solution to advance = "local extrapolation")
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateRKCK45() subroutine integrateStateRKCK45()
use prec, only: &
dNeq0
use numerics, only: &
rTol_crystalliteState
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element, &
mesh_NcpElems, & mesh_NcpElems, &
@ -2018,15 +2018,10 @@ subroutine integrateStateRKCK45()
maxval(phase_Nsources), & maxval(phase_Nsources), &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
residuum_source ! relative residuum from evolution in microstructure residuum_source ! relative residuum from evolution in microstructure
real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
residuum_plastic_rel
real(pReal), dimension(constitutive_source_maxSizeDotState) :: &
residuum_source_rel
call update_dotState(1.0_pReal) call update_dotState(1.0_pReal)
! --- SECOND TO SIXTH RUNGE KUTTA STEP --- ! --- SECOND TO SIXTH RUNGE KUTTA STEP ---
do stage = 1_pInt,5_pInt do stage = 1_pInt,5_pInt
@ -2121,33 +2116,17 @@ subroutine integrateStateRKCK45()
p = phaseAt(g,i,e); cc = phasememberAt(g,i,e) p = phaseAt(g,i,e); cc = phasememberAt(g,i,e)
sizeDotState = plasticState(p)%sizeDotState sizeDotState = plasticState(p)%sizeDotState
where(dNeq0(plasticState(p)%dotState(1:sizeDotState,cc)))
residuum_plastic_rel(1:sizeDotState) = residuum_plastic(1:sizeDotState,g,i,e) &
/ plasticState(p)%state(1:sizeDotState,cc)
else where
residuum_plastic_rel(1:sizeDotState) = 0.0_pReal
end where
crystallite_todo(g,i,e) = converged(residuum_plastic(1:sizeDotState,g,i,e), &
crystallite_todo(g,i,e) = all(abs(residuum_plastic_rel(1:sizeDotState)) < & plasticState(p)%dotState(1:sizeDotState,cc), &
rTol_crystalliteState .or. &
abs(residuum_plastic(1:sizeDotState,g,i,e)) < &
plasticState(p)%aTolState(1:sizeDotState)) plasticState(p)%aTolState(1:sizeDotState))
do s = 1_pInt, phase_Nsources(p) do s = 1_pInt, phase_Nsources(p)
sizeDotState = sourceState(p)%p(s)%sizeDotState sizeDotState = sourceState(p)%p(s)%sizeDotState
where(dNeq0(sourceState(p)%p(s)%dotState(1:sizeDotState,cc))) crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and.&
residuum_source_rel(1:sizeDotState) = residuum_source(1:sizeDotState,s,g,i,e) & converged(residuum_source(1:sizeDotState,s,g,i,e), &
/ sourceState(p)%p(s)%state(1:sizeDotState,cc) sourceState(p)%p(s)%dotState(1:sizeDotState,cc), &
else where
residuum_source_rel(1:SizeDotState) = 0.0_pReal
end where
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. &
all(abs(residuum_source_rel(1:sizeDotState)) < &
rTol_crystalliteState .or. &
abs(residuum_source(1:sizeDotState,s,g,i,e)) < &
sourceState(p)%p(s)%aTolState(1:sizeDotState)) sourceState(p)%p(s)%aTolState(1:sizeDotState))
enddo enddo
endif endif
@ -2160,6 +2139,34 @@ subroutine integrateStateRKCK45()
call setConvergenceFlag call setConvergenceFlag
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
contains
!--------------------------------------------------------------------------------------------------
!> @brief determines whether a point is converged
!--------------------------------------------------------------------------------------------------
logical pure function converged(residuum,dotState,absoluteTolerance)
use prec, only: &
dNeq0
use numerics, only: &
rTol_crystalliteState
implicit none
real(pReal), dimension(:), intent(in) ::&
residuum, dotState, absoluteTolerance
real(pReal), dimension(size(residuum,1)) ::&
residuum_rel
where(dNeq0(dotState))
residuum_rel = residuum/dotState
else where
residuum_rel = 0.0_pReal
end where
converged = all(abs(residuum_rel) < rTol_crystalliteState .or. &
abs(residuum) < absoluteTolerance)
end function converged
end subroutine integrateStateRKCK45 end subroutine integrateStateRKCK45