using dEq, dNeq, cEq, dEq

This commit is contained in:
Martin Diehl 2016-05-29 10:45:03 +02:00
parent 8d285e4190
commit bbf09506e6
11 changed files with 149 additions and 70 deletions

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@ -843,7 +843,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
!$OMP DO PRIVATE(neighboring_e,neighboring_i) !$OMP DO PRIVATE(neighboring_e,neighboring_i)
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (.not. crystallite_localPlasticity(1,i,e) .and. abs(crystallite_subFrac(1,i,e)) > tiny(0.0_pReal)) then if (.not. crystallite_localPlasticity(1,i,e) .and. dNeq(crystallite_subFrac(1,i,e),0.0_pReal)) then
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e)))) do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))
neighboring_e = mesh_ipNeighborhood(1,n,i,e) neighboring_e = mesh_ipNeighborhood(1,n,i,e)
neighboring_i = mesh_ipNeighborhood(2,n,i,e) neighboring_i = mesh_ipNeighborhood(2,n,i,e)
@ -3623,6 +3623,7 @@ logical function crystallite_integrateStress(&
!* inversion of Fi_current... !* inversion of Fi_current...
invFi_current = math_inv33(Fi_current)
failedInversionFi: if (all(dEq(invFi_current,0.0_pReal))) then failedInversionFi: if (all(dEq(invFi_current,0.0_pReal))) then
#ifndef _OPENMP #ifndef _OPENMP
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
@ -3883,7 +3884,7 @@ logical function crystallite_integrateStress(&
invFp_new = math_mul33x33(invFp_current,B) invFp_new = math_mul33x33(invFp_current,B)
invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
Fp_new = math_inv33(invFp_new) Fp_new = math_inv33(invFp_new)
failedInversionFp2: if (all(dEq(invFp_new,0.0_pReal))) then failedInversionInvFp: if (all(dEq(Fp_new,0.0_pReal))) then
#ifndef _OPENMP #ifndef _OPENMP
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip ipc ',& write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip ipc ',&
@ -3895,7 +3896,7 @@ logical function crystallite_integrateStress(&
endif endif
#endif #endif
return return
endif failedInversionFp2 endif failedInversionInvFp
Fe_new = math_mul33x33(math_mul33x33(Fg_new,invFp_new),invFi_new) ! calc resulting Fe Fe_new = math_mul33x33(math_mul33x33(Fg_new,invFp_new),invFi_new) ! calc resulting Fe
!* calculate 1st Piola-Kirchhoff stress !* calculate 1st Piola-Kirchhoff stress

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@ -386,6 +386,8 @@ end subroutine homogenization_RGC_partitionDeformation
! "happy" with result ! "happy" with result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el) function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
use prec, only: &
dEq
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_homogenization,& debug_homogenization,&
@ -441,10 +443,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix
real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax
if(abs(dt) < tiny(0.0_pReal)) then ! zero time step zeroTimeStep: if(dEq(dt,0.0_pReal)) then
homogenization_RGC_updateState = .true. ! pretend everything is fine and return homogenization_RGC_updateState = .true. ! pretend everything is fine and return
return return
endif endif zeroTimeStep
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! get the dimension of the cluster (grains and interfaces) ! get the dimension of the cluster (grains and interfaces)

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@ -761,6 +761,8 @@ end function math_inv33
! returns error if not possible, i.e. if det close to zero ! returns error if not possible, i.e. if det close to zero
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine math_invert33(A, InvA, DetA, error) pure subroutine math_invert33(A, InvA, DetA, error)
use prec, only: &
dEq
implicit none implicit none
logical, intent(out) :: error logical, intent(out) :: error
@ -774,7 +776,7 @@ pure subroutine math_invert33(A, InvA, DetA, error)
DetA = A(1,1) * InvA(1,1) + A(1,2) * InvA(2,1) + A(1,3) * InvA(3,1) DetA = A(1,1) * InvA(1,1) + A(1,2) * InvA(2,1) + A(1,3) * InvA(3,1)
if (abs(DetA) <= tiny(DetA)) then if (dEq(DetA,0.0_pReal)) then
InvA = 0.0_pReal InvA = 0.0_pReal
error = .true. error = .true.
else else
@ -1279,6 +1281,8 @@ end function math_qNorm
!> @brief quaternion inversion !> @brief quaternion inversion
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_qInv(Q) pure function math_qInv(Q)
use prec, only: &
dNeq
implicit none implicit none
real(pReal), dimension(4), intent(in) :: Q real(pReal), dimension(4), intent(in) :: Q
@ -1288,8 +1292,7 @@ pure function math_qInv(Q)
math_qInv = 0.0_pReal math_qInv = 0.0_pReal
squareNorm = math_qDot(Q,Q) squareNorm = math_qDot(Q,Q)
if (abs(squareNorm) > tiny(squareNorm)) & if (dNeq(squareNorm,0.0_pReal)) math_qInv = math_qConj(Q) / squareNorm
math_qInv = math_qConj(Q) / squareNorm
end function math_qInv end function math_qInv
@ -2093,6 +2096,8 @@ end function math_eigenvectorBasisSym33
!> @brief rotational part from polar decomposition of 33 tensor m !> @brief rotational part from polar decomposition of 33 tensor m
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function math_rotationalPart33(m) function math_rotationalPart33(m)
use prec, only: &
dEq
use IO, only: & use IO, only: &
IO_warning IO_warning
@ -2104,12 +2109,12 @@ function math_rotationalPart33(m)
U = math_eigenvectorBasisSym33(math_mul33x33(transpose(m),m)) U = math_eigenvectorBasisSym33(math_mul33x33(transpose(m),m))
Uinv = math_inv33(U) Uinv = math_inv33(U)
if (all(abs(Uinv) <= tiny(Uinv))) then ! math_inv33 returns zero when failed, avoid floating point equality comparison inversionFailed: if (all(dEq(Uinv,0.0_pReal))) then
math_rotationalPart33 = math_I3 math_rotationalPart33 = math_I3
call IO_warning(650_pInt) call IO_warning(650_pInt)
else else inversionFailed
math_rotationalPart33 = math_mul33x33(m,Uinv) math_rotationalPart33 = math_mul33x33(m,Uinv)
endif endif inversionFailed
end function math_rotationalPart33 end function math_rotationalPart33

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@ -981,7 +981,8 @@ end subroutine plastic_disloUCLA_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el) subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check tol_math_check, &
dEq
use math, only: & use math, only: &
pi pi
use material, only: & use material, only: &
@ -1119,7 +1120,7 @@ subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
!* Dipole formation !* Dipole formation
EdgeDipMinDistance = & EdgeDipMinDistance = &
plastic_disloUCLA_CEdgeDipMinDistance(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance) plastic_disloUCLA_CEdgeDipMinDistance(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)
if (abs(tau_slip_pos) <= tiny(0.0_pReal)) then if (dEq(tau_slip_pos,0.0_pReal)) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else else
EdgeDipDistance = & EdgeDipDistance = &
@ -1147,7 +1148,7 @@ subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
plastic_disloUCLA_CAtomicVolume(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)**(3.0_pReal) plastic_disloUCLA_CAtomicVolume(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)**(3.0_pReal)
VacancyDiffusion = & VacancyDiffusion = &
plastic_disloUCLA_D0(instance)*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature)) plastic_disloUCLA_D0(instance)*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature))
if (abs(tau_slip_pos) <= tiny(0.0_pReal)) then if (dEq(tau_slip_pos,0.0_pReal)) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
ClimbVelocity = & ClimbVelocity = &
@ -1180,7 +1181,8 @@ end subroutine plastic_disloUCLA_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_disloUCLA_postResults(Tstar_v,Temperature,ipc,ip,el) function plastic_disloUCLA_postResults(Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check tol_math_check, &
dEq
use math, only: & use math, only: &
pi pi
use material, only: & use material, only: &
@ -1408,7 +1410,7 @@ function plastic_disloUCLA_postResults(Tstar_v,Temperature,ipc,ip,el)
c = c + ns c = c + ns
elseif(plastic_disloUCLA_outputID(o,instance) == stress_exponent_ID) then elseif(plastic_disloUCLA_outputID(o,instance) == stress_exponent_ID) then
do j = 1_pInt, ns do j = 1_pInt, ns
if (abs(gdot_slip_pos(j)+gdot_slip_neg(j))<=tiny(0.0_pReal)) then if (dEq(gdot_slip_pos(j)+gdot_slip_neg(j),0.0_pReal)) then
plastic_disloUCLA_postResults(c+j) = 0.0_pReal plastic_disloUCLA_postResults(c+j) = 0.0_pReal
else else
plastic_disloUCLA_postResults(c+j) = (tau_slip_pos(j)+tau_slip_neg(j))/& plastic_disloUCLA_postResults(c+j) = (tau_slip_pos(j)+tau_slip_neg(j))/&

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@ -200,6 +200,7 @@ contains
subroutine plastic_dislotwin_init(fileUnit) subroutine plastic_dislotwin_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: & use prec, only: &
dEq, &
dNeq dNeq
use debug, only: & use debug, only: &
debug_level,& debug_level,&
@ -751,8 +752,8 @@ subroutine plastic_dislotwin_init(fileUnit)
if (plastic_dislotwin_Qsd(instance) <= 0.0_pReal) & if (plastic_dislotwin_Qsd(instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')')
if (sum(plastic_dislotwin_Ntwin(:,instance)) > 0_pInt) then if (sum(plastic_dislotwin_Ntwin(:,instance)) > 0_pInt) then
if (abs(plastic_dislotwin_SFE_0K(instance)) <= tiny(0.0_pReal) .and. & if (dEq(plastic_dislotwin_SFE_0K(instance), 0.0_pReal) .and. &
abs(plastic_dislotwin_dSFE_dT(instance)) <= tiny(0.0_pReal) .and. & dEq(plastic_dislotwin_dSFE_dT(instance),0.0_pReal) .and. &
lattice_structure(phase) == LATTICE_fcc_ID) & lattice_structure(phase) == LATTICE_fcc_ID) &
call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
if (plastic_dislotwin_aTolRho(instance) <= 0.0_pReal) & if (plastic_dislotwin_aTolRho(instance) <= 0.0_pReal) &
@ -761,8 +762,8 @@ subroutine plastic_dislotwin_init(fileUnit)
call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')')
endif endif
if (sum(plastic_dislotwin_Ntrans(:,instance)) > 0_pInt) then if (sum(plastic_dislotwin_Ntrans(:,instance)) > 0_pInt) then
if (abs(plastic_dislotwin_SFE_0K(instance)) <= tiny(0.0_pReal) .and. & if (dEq(plastic_dislotwin_SFE_0K(instance), 0.0_pReal) .and. &
abs(plastic_dislotwin_dSFE_dT(instance)) <= tiny(0.0_pReal) .and. & dEq(plastic_dislotwin_dSFE_dT(instance),0.0_pReal) .and. &
lattice_structure(phase) == LATTICE_fcc_ID) & lattice_structure(phase) == LATTICE_fcc_ID) &
call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
if (plastic_dislotwin_aTolTransFrac(instance) <= 0.0_pReal) & if (plastic_dislotwin_aTolTransFrac(instance) <= 0.0_pReal) &
@ -1630,7 +1631,8 @@ end subroutine plastic_dislotwin_microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature,ipc,ip,el) subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check tol_math_check, &
dNeq
use math, only: & use math, only: &
math_Plain3333to99, & math_Plain3333to99, &
math_Mandel6to33, & math_Mandel6to33, &
@ -1777,8 +1779,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Shear banding (shearband) part ! Shear banding (shearband) part
if(abs(plastic_dislotwin_sbVelocity(instance)) > tiny(0.0_pReal) .and. & if(dNeq(plastic_dislotwin_sbVelocity(instance), 0.0_pReal) .and. &
abs(plastic_dislotwin_sbResistance(instance)) > tiny(0.0_pReal)) then dNeq(plastic_dislotwin_sbResistance(instance),0.0_pReal)) then
gdot_sb = 0.0_pReal gdot_sb = 0.0_pReal
dgdot_dtausb = 0.0_pReal dgdot_dtausb = 0.0_pReal
call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error)
@ -1944,7 +1946,8 @@ end subroutine plastic_dislotwin_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check tol_math_check, &
dEq
use math, only: & use math, only: &
pi pi
use material, only: & use material, only: &
@ -2045,7 +2048,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
!* Dipole formation !* Dipole formation
EdgeDipMinDistance = & EdgeDipMinDistance = &
plastic_dislotwin_CEdgeDipMinDistance(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance) plastic_dislotwin_CEdgeDipMinDistance(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)
if (abs(tau_slip(j)) <= tiny(0.0_pReal)) then if (dEq(tau_slip(j),0.0_pReal)) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else else
EdgeDipDistance = & EdgeDipDistance = &
@ -2073,10 +2076,10 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
plastic_dislotwin_CAtomicVolume(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)**(3.0_pReal) plastic_dislotwin_CAtomicVolume(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)**(3.0_pReal)
VacancyDiffusion = & VacancyDiffusion = &
plastic_dislotwin_D0(instance)*exp(-plastic_dislotwin_Qsd(instance)/(kB*Temperature)) plastic_dislotwin_D0(instance)*exp(-plastic_dislotwin_Qsd(instance)/(kB*Temperature))
if (abs(tau_slip(j)) <= tiny(0.0_pReal)) then if (dEq(tau_slip(j),0.0_pReal)) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
if (EdgeDipDistance-EdgeDipMinDistance <= tiny(0.0_pReal)) then if (dEq(EdgeDipDistance-EdgeDipMinDistance,0.0_pReal)) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
ClimbVelocity = 3.0_pReal*lattice_mu(ph)*VacancyDiffusion*AtomicVolume/ & ClimbVelocity = 3.0_pReal*lattice_mu(ph)*VacancyDiffusion*AtomicVolume/ &
@ -2191,7 +2194,8 @@ end subroutine plastic_dislotwin_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check tol_math_check, &
dEq
use math, only: & use math, only: &
pi, & pi, &
math_Mandel6to33, & math_Mandel6to33, &
@ -2506,11 +2510,8 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
endif endif
!* Stress exponent !* Stress exponent
if (abs(gdot_slip(j))<=tiny(0.0_pReal)) then plastic_dislotwin_postResults(c+j) = &
plastic_dislotwin_postResults(c+j) = 0.0_pReal merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq(gdot_slip(j),0.0_pReal))
else
plastic_dislotwin_postResults(c+j) = (tau/gdot_slip(j))*dgdot_dtauslip
endif
enddo ; enddo enddo ; enddo
c = c + ns c = c + ns
case (sb_eigenvalues_ID) case (sb_eigenvalues_ID)

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@ -524,6 +524,8 @@ end subroutine plastic_isotropic_LiAndItsTangent
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el) subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
use prec, only: &
dEq
use math, only: & use math, only: &
math_mul6x6 math_mul6x6
use material, only: & use material, only: &
@ -570,7 +572,7 @@ subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hardening coefficient ! hardening coefficient
if (abs(gamma_dot) > 1e-12_pReal) then if (abs(gamma_dot) > 1e-12_pReal) then
if (abs(param(instance)%tausat_SinhFitA) <= tiny(0.0_pReal)) then if (dEq(param(instance)%tausat_SinhFitA,0.0_pReal)) then
saturation = param(instance)%tausat saturation = param(instance)%tausat
else else
saturation = ( param(instance)%tausat & saturation = ( param(instance)%tausat &

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@ -1549,6 +1549,8 @@ end subroutine plastic_nonlocal_aTolState
!> @brief calculates quantities characterizing the microstructure !> @brief calculates quantities characterizing the microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_microstructure(Fe, Fp, ip, el) subroutine plastic_nonlocal_microstructure(Fe, Fp, ip, el)
use prec, only: &
dEq
use IO, only: & use IO, only: &
IO_error IO_error
use math, only: & use math, only: &
@ -1792,7 +1794,7 @@ if (.not. phase_localPlasticity(ph) .and. shortRangeStressCorrection(instance))
- neighbor_rhoExcess(c,s,neighbors(2)) - neighbor_rhoExcess(c,s,neighbors(2))
enddo enddo
invConnections = math_inv33(connections) invConnections = math_inv33(connections)
if (all(abs(invConnections) <= tiny(0.0_pReal))) & ! check for failed in version (math_inv33 returns 0) and avoid floating point equality comparison if (all(dEq(invConnections,0.0_pReal))) &
call IO_error(-1_pInt,ext_msg='back stress calculation: inversion error') call IO_error(-1_pInt,ext_msg='back stress calculation: inversion error')
rhoExcessGradient(c) = math_mul3x3(m(1:3,s,c), & rhoExcessGradient(c) = math_mul3x3(m(1:3,s,c), &
math_mul33x3(invConnections,rhoExcessDifferences)) math_mul33x3(invConnections,rhoExcessDifferences))
@ -2200,6 +2202,8 @@ end subroutine plastic_nonlocal_LpAndItsTangent
!> @brief (instantaneous) incremental change of microstructure !> @brief (instantaneous) incremental change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_deltaState(Tstar_v,ip,el) subroutine plastic_nonlocal_deltaState(Tstar_v,ip,el)
use prec, only: &
dNeq
use debug, only: debug_level, & use debug, only: debug_level, &
debug_constitutive, & debug_constitutive, &
debug_levelBasic, & debug_levelBasic, &
@ -2322,8 +2326,8 @@ dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) / (4.0_pReal * pi * abs
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+& where(dNeq(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+&
abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)) >= tiny(0.0_pReal)) & abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)),0.0_pReal)) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), & + abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
dUpper(1:ns,c)) dUpper(1:ns,c))
@ -2335,7 +2339,7 @@ deltaDUpper = dUpper - dUpperOld
!*** dissociation by stress increase !*** dissociation by stress increase
deltaRhoDipole2SingleStress = 0.0_pReal deltaRhoDipole2SingleStress = 0.0_pReal
forall (c=1_pInt:2_pInt, s=1_pInt:ns, deltaDUpper(s,c) < 0.0_pReal .and. & forall (c=1_pInt:2_pInt, s=1_pInt:ns, deltaDUpper(s,c) < 0.0_pReal .and. &
abs(dUpperOld(s,c) - dLower(s,c)) > tiny(0.0_pReal)) & dNeq(dUpperOld(s,c) - dLower(s,c),0.0_pReal)) &
deltaRhoDipole2SingleStress(s,8_pInt+c) = rhoDip(s,c) * deltaDUpper(s,c) & deltaRhoDipole2SingleStress(s,8_pInt+c) = rhoDip(s,c) * deltaDUpper(s,c) &
/ (dUpperOld(s,c) - dLower(s,c)) / (dUpperOld(s,c) - dLower(s,c))
@ -2383,7 +2387,8 @@ subroutine plastic_nonlocal_dotState(Tstar_v, Fe, Fp, Temperature, &
timestep,subfrac, ip,el) timestep,subfrac, ip,el)
use prec, only: DAMASK_NaN, & use prec, only: DAMASK_NaN, &
dNeq dNeq, &
dEq
use numerics, only: numerics_integrationMode, & use numerics, only: numerics_integrationMode, &
numerics_timeSyncing numerics_timeSyncing
use IO, only: IO_error use IO, only: IO_error
@ -2617,8 +2622,8 @@ dUpper(1:ns,1) = lattice_mu(ph) * burgers(1:ns,instance) &
dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+& where(dNeq(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+&
abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)) >= tiny(0.0_pReal)) & abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)),0.0_pReal)) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), & + abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
dUpper(1:ns,c)) dUpper(1:ns,c))
@ -2830,11 +2835,11 @@ if (.not. phase_localPlasticity(material_phase(1_pInt,ip,el))) then
my_rhoSgl = rhoSgl my_rhoSgl = rhoSgl
my_v = v my_v = v
if(numerics_timeSyncing) then if(numerics_timeSyncing) then
if (abs(subfrac(1_pInt,ip,el))<= tiny(0.0_pReal)) then if (dEq(subfrac(1_pInt,ip,el),0.0_pReal)) then
my_rhoSgl = rhoSgl0 my_rhoSgl = rhoSgl0
my_v = v0 my_v = v0
elseif (neighbor_n > 0_pInt) then elseif (neighbor_n > 0_pInt) then
if (abs(subfrac(1_pInt,neighbor_ip,neighbor_el))<= tiny(0.0_pReal)) then if (dEq(subfrac(1_pInt,neighbor_ip,neighbor_el),0.0_pReal)) then
my_rhoSgl = rhoSgl0 my_rhoSgl = rhoSgl0
my_v = v0 my_v = v0
endif endif
@ -3172,6 +3177,8 @@ end subroutine plastic_nonlocal_updateCompatibility
!* calculates quantities characterizing the microstructure * !* calculates quantities characterizing the microstructure *
!********************************************************************* !*********************************************************************
function plastic_nonlocal_dislocationstress(Fe, ip, el) function plastic_nonlocal_dislocationstress(Fe, ip, el)
use prec, only: &
dEq
use math, only: math_mul33x33, & use math, only: math_mul33x33, &
math_mul33x3, & math_mul33x3, &
math_inv33, & math_inv33, &
@ -3384,7 +3391,7 @@ if (.not. phase_localPlasticity(ph)) then
Rsquare = R * R Rsquare = R * R
Rcube = Rsquare * R Rcube = Rsquare * R
denominator = R * (R + flipSign * lambda) denominator = R * (R + flipSign * lambda)
if (abs(denominator)<= tiny(0.0_pReal)) exit ipLoop if (dEq(denominator,0.0_pReal)) exit ipLoop
sigma(1,1) = sigma(1,1) - real(side,pReal) & sigma(1,1) = sigma(1,1) - real(side,pReal) &
* flipSign * z / denominator & * flipSign * z / denominator &
@ -3429,7 +3436,7 @@ if (.not. phase_localPlasticity(ph)) then
Rsquare = R * R Rsquare = R * R
Rcube = Rsquare * R Rcube = Rsquare * R
denominator = R * (R + flipSign * lambda) denominator = R * (R + flipSign * lambda)
if (abs(denominator)<= tiny(0.0_pReal)) exit ipLoop if (dEq(denominator,0.0_pReal)) exit ipLoop
sigma(1,2) = sigma(1,2) - real(side,pReal) * flipSign * z & sigma(1,2) = sigma(1,2) - real(side,pReal) * flipSign * z &
* (1.0_pReal - lattice_nu(ph)) / denominator & * (1.0_pReal - lattice_nu(ph)) / denominator &
@ -3518,6 +3525,8 @@ end function plastic_nonlocal_dislocationstress
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_nonlocal_postResults(Tstar_v,Fe,ip,el) function plastic_nonlocal_postResults(Tstar_v,Fe,ip,el)
use prec, only: &
dNeq
use math, only: & use math, only: &
math_mul6x6, & math_mul6x6, &
math_mul33x3, & math_mul33x3, &
@ -3634,8 +3643,8 @@ dUpper(1:ns,1) = lattice_mu(ph) * burgers(1:ns,instance) &
dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+& where(dNeq(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+&
abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)) >= tiny(0.0_pReal)) & abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)),0.0_pReal)) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), & + abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
dUpper(1:ns,c)) dUpper(1:ns,c))

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@ -112,6 +112,8 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenoplus_init(fileUnit) subroutine plastic_phenoplus_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: &
dEq
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive,& debug_constitutive,&
@ -481,7 +483,7 @@ subroutine plastic_phenoplus_init(fileUnit)
if (any(plastic_phenoplus_tausat_slip(:,instance) <= 0.0_pReal .and. & if (any(plastic_phenoplus_tausat_slip(:,instance) <= 0.0_pReal .and. &
plastic_phenoplus_Nslip(:,instance) > 0)) & plastic_phenoplus_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPLUS_label//')') call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPLUS_label//')')
if (any(abs(plastic_phenoplus_a_slip(instance)) <= tiny(0.0_pReal) .and. & if (any(dEq(plastic_phenoplus_a_slip(instance),0.0_pReal) .and. &
plastic_phenoplus_Nslip(:,instance) > 0)) & plastic_phenoplus_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPLUS_label//')') call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPLUS_label//')')
if (any(plastic_phenoplus_tau0_twin(:,instance) < 0.0_pReal .and. & if (any(plastic_phenoplus_tau0_twin(:,instance) < 0.0_pReal .and. &
@ -923,6 +925,8 @@ end subroutine plastic_phenoplus_microstructure
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el) subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
use prec, only: &
dNeq
use math, only: & use math, only: &
math_Plain3333to99, & math_Plain3333to99, &
math_Mandel6to33 math_Mandel6to33
@ -1038,7 +1042,7 @@ subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
(gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph) (gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (abs(gdot_slip_pos) > tiny(0.0_pReal)) then if (dNeq(gdot_slip_pos,0.0_pReal)) then
dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenoplus_n_slip(instance)/tau_slip_pos dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenoplus_n_slip(instance)/tau_slip_pos
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -1046,7 +1050,7 @@ subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
nonSchmid_tensor(m,n,1) nonSchmid_tensor(m,n,1)
endif endif
if (abs(gdot_slip_neg) > tiny(0.0_pReal)) then if (dNeq(gdot_slip_neg,0.0_pReal)) then
dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenoplus_n_slip(instance)/tau_slip_neg dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenoplus_n_slip(instance)/tau_slip_neg
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -1073,7 +1077,7 @@ subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph) Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (abs(gdot_twin) > tiny(0.0_pReal)) then if (dNeq(gdot_twin,0.0_pReal)) then
dgdot_dtautwin = gdot_twin*plastic_phenoplus_n_twin(instance)/tau_twin dgdot_dtautwin = gdot_twin*plastic_phenoplus_n_twin(instance)/tau_twin
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &

View File

@ -124,6 +124,8 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_init(fileUnit) subroutine plastic_phenopowerlaw_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: &
dEq
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive,& debug_constitutive,&
@ -487,7 +489,7 @@ subroutine plastic_phenopowerlaw_init(fileUnit)
if (any(plastic_phenopowerlaw_tausat_slip(:,instance) <= 0.0_pReal .and. & if (any(plastic_phenopowerlaw_tausat_slip(:,instance) <= 0.0_pReal .and. &
plastic_phenopowerlaw_Nslip(:,instance) > 0)) & plastic_phenopowerlaw_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPOWERLAW_label//')')
if (any(abs(plastic_phenopowerlaw_a_slip(instance)) <= tiny(0.0_pReal) .and. & if (any(dEq(plastic_phenopowerlaw_a_slip(instance),0.0_pReal) .and. &
plastic_phenopowerlaw_Nslip(:,instance) > 0)) & plastic_phenopowerlaw_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPOWERLAW_label//')')
if (any(plastic_phenopowerlaw_tau0_twin(:,instance) < 0.0_pReal .and. & if (any(plastic_phenopowerlaw_tau0_twin(:,instance) < 0.0_pReal .and. &
@ -774,6 +776,8 @@ end subroutine plastic_phenopowerlaw_aTolState
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el) subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
use prec, only: &
dNeq
use math, only: & use math, only: &
math_Plain3333to99, & math_Plain3333to99, &
math_Mandel6to33 math_Mandel6to33
@ -863,7 +867,7 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,
(gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph) (gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (abs(gdot_slip_pos) > tiny(0.0_pReal)) then if (dNeq(gdot_slip_pos,0.0_pReal)) then
dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenopowerlaw_n_slip(instance)/tau_slip_pos dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenopowerlaw_n_slip(instance)/tau_slip_pos
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -871,7 +875,7 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,
nonSchmid_tensor(m,n,1) nonSchmid_tensor(m,n,1)
endif endif
if (abs(gdot_slip_neg) > tiny(0.0_pReal)) then if (dNeq(gdot_slip_neg,0.0_pReal)) then
dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenopowerlaw_n_slip(instance)/tau_slip_neg dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenopowerlaw_n_slip(instance)/tau_slip_neg
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -898,7 +902,7 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,
Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph) Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (abs(gdot_twin) > tiny(0.0_pReal)) then if (dNeq(gdot_twin,0.0_pReal)) then
dgdot_dtautwin = gdot_twin*plastic_phenopowerlaw_n_twin(instance)/tau_twin dgdot_dtautwin = gdot_twin*plastic_phenopowerlaw_n_twin(instance)/tau_twin
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &

View File

@ -115,7 +115,9 @@ module prec
prec_init, & prec_init, &
prec_isNaN, & prec_isNaN, &
dEq, & dEq, &
dNeq cEq, &
dNeq, &
cNeq
contains contains
@ -180,23 +182,23 @@ end function prec_isNaN
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief equality comparison for double precision !> @brief equality comparison for float with double precision
! replaces "==" but for certain (relative) tolerance. Counterpart to dNeq ! replaces "==" but for certain (relative) tolerance. Counterpart to dNeq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dEq(a,b,tol) logical elemental pure function dEq(a,b,tol)
implicit none implicit none
real(pReal), intent(in) :: a,b real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
dEq = merge(.True., .False.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b]))) dEq = merge(.True., .False.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function dEq end function dEq
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief inequality comparison for double precision !> @brief inequality comparison for float with double precision
! replaces "!=" but for certain (relative) tolerance. Counterpart to dEq ! replaces "!=" but for certain (relative) tolerance. Counterpart to dEq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -205,9 +207,44 @@ logical elemental pure function dNeq(a,b,tol)
implicit none implicit none
real(pReal), intent(in) :: a,b real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
dNeq = merge(.False., .True.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b]))) dNeq = merge(.False., .True.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function dNeq end function dNeq
!--------------------------------------------------------------------------------------------------
!> @brief equality comparison for complex with double precision
! replaces "==" but for certain (relative) tolerance. Counterpart to cNeq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm
! probably a component wise comparison would be more accurate than the comparsion of the absolute
! value
!--------------------------------------------------------------------------------------------------
logical elemental pure function cEq(a,b,tol)
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
cEq = merge(.True., .False.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function cEq
!--------------------------------------------------------------------------------------------------
!> @brief inequality comparison for complex with double precision
! replaces "!=" but for certain (relative) tolerance. Counterpart to cEq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm
! probably a component wise comparison would be more accurate than the comparsion of the absolute
! value
!--------------------------------------------------------------------------------------------------
logical elemental pure function cNeq(a,b,tol)
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
cNeq = merge(.False., .True.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function cNeq
end module prec end module prec

View File

@ -402,7 +402,7 @@ subroutine utilities_updateGamma(C,saveReference)
integer(pInt) :: & integer(pInt) :: &
i, j, k, & i, j, k, &
l, m, n, o l, m, n, o
logical :: ierr logical :: err
C_ref = C C_ref = C
if (saveReference) then if (saveReference) then
@ -426,7 +426,7 @@ subroutine utilities_updateGamma(C,saveReference)
matA(1:3,1:3) = real(temp33_complex); matA(4:6,4:6) = real(temp33_complex) matA(1:3,1:3) = real(temp33_complex); matA(4:6,4:6) = real(temp33_complex)
matA(1:3,4:6) = aimag(temp33_complex); matA(4:6,1:3) = -aimag(temp33_complex) matA(1:3,4:6) = aimag(temp33_complex); matA(4:6,1:3) = -aimag(temp33_complex)
if (abs(math_det33(matA(1:3,1:3))) > 1e-16) then if (abs(math_det33(matA(1:3,1:3))) > 1e-16) then
call math_invert(6_pInt, matA, matInvA, ierr) call math_invert(6_pInt, matA, matInvA, err)
temp33_complex = cmplx(matInvA(1:3,1:3),matInvA(1:3,4:6),pReal) temp33_complex = cmplx(matInvA(1:3,1:3),matInvA(1:3,4:6),pReal)
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, o=1_pInt:3_pInt) & forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, o=1_pInt:3_pInt) &
gamma_hat(l,m,n,o,i,j,k-grid3Offset) = temp33_complex(l,n)* & gamma_hat(l,m,n,o,i,j,k-grid3Offset) = temp33_complex(l,n)* &
@ -938,6 +938,10 @@ end subroutine utilities_fourierTensorDivergence
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, & subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
P,C_volAvg,C_minmaxAvg,P_av,forwardData,rotation_BC) P,C_volAvg,C_minmaxAvg,P_av,forwardData,rotation_BC)
use prec, only: &
dNeq
use IO, only: &
IO_error
use debug, only: & use debug, only: &
debug_reset, & debug_reset, &
debug_info debug_info
@ -976,10 +980,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
age age
integer(pInt) :: & integer(pInt) :: &
j,k j,k,ierr
real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF
real(pReal) :: max_dPdF_norm, min_dPdF_norm, defgradDetMin, defgradDetMax, defgradDet real(pReal) :: max_dPdF_norm, min_dPdF_norm, defgradDetMin, defgradDetMax, defgradDet
PetscErrorCode :: ierr
external :: & external :: &
MPI_Reduce, & MPI_Reduce, &
@ -1013,7 +1016,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
defgradDetMin = min(defgradDetMin,defgradDet) defgradDetMin = min(defgradDetMin,defgradDet)
end do end do
call MPI_reduce(MPI_IN_PLACE,defgradDetMax,1,MPI_DOUBLE,MPI_MAX,0,PETSC_COMM_WORLD,ierr) call MPI_reduce(MPI_IN_PLACE,defgradDetMax,1,MPI_DOUBLE,MPI_MAX,0,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
call MPI_reduce(MPI_IN_PLACE,defgradDetMin,1,MPI_DOUBLE,MPI_MIN,0,PETSC_COMM_WORLD,ierr) call MPI_reduce(MPI_IN_PLACE,defgradDetMin,1,MPI_DOUBLE,MPI_MIN,0,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
if (worldrank == 0_pInt) then if (worldrank == 0_pInt) then
write(6,'(a,1x,es11.4)') ' max determinant of deformation =', defgradDetMax write(6,'(a,1x,es11.4)') ' max determinant of deformation =', defgradDetMax
write(6,'(a,1x,es11.4)') ' min determinant of deformation =', defgradDetMin write(6,'(a,1x,es11.4)') ' min determinant of deformation =', defgradDetMin
@ -1039,7 +1044,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
end do end do
call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF) C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF)
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
@ -1194,6 +1201,10 @@ end function utilities_getFreqDerivative
! convolution ! convolution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine utilities_updateIPcoords(F) subroutine utilities_updateIPcoords(F)
use prec, only: &
cNeq
use IO, only: &
IO_error
use math, only: & use math, only: &
math_mul33x3 math_mul33x3
use mesh, only: & use mesh, only: &
@ -1205,10 +1216,9 @@ subroutine utilities_updateIPcoords(F)
implicit none implicit none
real(pReal), dimension(3,3,grid(1),grid(2),grid3), intent(in) :: F real(pReal), dimension(3,3,grid(1),grid(2),grid3), intent(in) :: F
integer(pInt) :: i, j, k, m integer(pInt) :: i, j, k, m, ierr
real(pReal), dimension(3) :: step, offset_coords real(pReal), dimension(3) :: step, offset_coords
real(pReal), dimension(3,3) :: Favg real(pReal), dimension(3,3) :: Favg
PetscErrorCode :: ierr
external & external &
MPI_Bcast MPI_Bcast
@ -1219,8 +1229,8 @@ subroutine utilities_updateIPcoords(F)
call utilities_FFTtensorForward() call utilities_FFTtensorForward()
call utilities_fourierTensorDivergence() call utilities_fourierTensorDivergence()
do k = 1_pInt, grid3; do j = 1_pInt, grid(2) ;do i = 1_pInt, grid1Red do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid1Red
if (any(abs(xi1st(1:3,i,j,k)) > tiny(0.0_pReal))) & if (any(cNeq(xi1st(1:3,i,j,k),cmplx(0.0_pReal,0.0_pReal)))) &
vectorField_fourier(1:3,i,j,k) = vectorField_fourier(1:3,i,j,k)/ & vectorField_fourier(1:3,i,j,k) = vectorField_fourier(1:3,i,j,k)/ &
sum(conjg(-xi1st(1:3,i,j,k))*xi1st(1:3,i,j,k)) sum(conjg(-xi1st(1:3,i,j,k))*xi1st(1:3,i,j,k))
enddo; enddo; enddo enddo; enddo; enddo
@ -1230,12 +1240,14 @@ subroutine utilities_updateIPcoords(F)
! average F ! average F
if (grid3Offset == 0_pInt) Favg = real(tensorField_fourier(1:3,1:3,1,1,1),pReal)*wgt if (grid3Offset == 0_pInt) Favg = real(tensorField_fourier(1:3,1:3,1,1,1),pReal)*wgt
call MPI_Bcast(Favg,9,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr) call MPI_Bcast(Favg,9,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='update_IPcoords')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! add average to fluctuation and put (0,0,0) on (0,0,0) ! add average to fluctuation and put (0,0,0) on (0,0,0)
step = geomSize/real(grid, pReal) step = geomSize/real(grid, pReal)
if (grid3Offset == 0_pInt) offset_coords = vectorField_real(1:3,1,1,1) if (grid3Offset == 0_pInt) offset_coords = vectorField_real(1:3,1,1,1)
call MPI_Bcast(offset_coords,3,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr) call MPI_Bcast(offset_coords,3,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='update_IPcoords')
offset_coords = math_mul33x3(Favg,step/2.0_pReal) - offset_coords offset_coords = math_mul33x3(Favg,step/2.0_pReal) - offset_coords
m = 1_pInt m = 1_pInt
do k = 1_pInt,grid3; do j = 1_pInt,grid(2); do i = 1_pInt,grid(1) do k = 1_pInt,grid3; do j = 1_pInt,grid(2); do i = 1_pInt,grid(1)