using dEq, dNeq, cEq, dEq
This commit is contained in:
Martin Diehl
parent
8d285e4190
commit
bbf09506e6
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@ -843,7 +843,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMP DO PRIVATE(neighboring_e,neighboring_i)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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if (.not. crystallite_localPlasticity(1,i,e) .and. abs(crystallite_subFrac(1,i,e)) > tiny(0.0_pReal)) then
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if (.not. crystallite_localPlasticity(1,i,e) .and. dNeq(crystallite_subFrac(1,i,e),0.0_pReal)) then
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do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))
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neighboring_e = mesh_ipNeighborhood(1,n,i,e)
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neighboring_i = mesh_ipNeighborhood(2,n,i,e)
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@ -3623,6 +3623,7 @@ logical function crystallite_integrateStress(&
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!* inversion of Fi_current...
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invFi_current = math_inv33(Fi_current)
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failedInversionFi: if (all(dEq(invFi_current,0.0_pReal))) then
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#ifndef _OPENMP
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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@ -3883,7 +3884,7 @@ logical function crystallite_integrateStress(&
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invFp_new = math_mul33x33(invFp_current,B)
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invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
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Fp_new = math_inv33(invFp_new)
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failedInversionFp2: if (all(dEq(invFp_new,0.0_pReal))) then
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failedInversionInvFp: if (all(dEq(Fp_new,0.0_pReal))) then
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#ifndef _OPENMP
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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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 ',&
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@ -3895,7 +3896,7 @@ logical function crystallite_integrateStress(&
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endif
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#endif
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return
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endif failedInversionFp2
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endif failedInversionInvFp
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Fe_new = math_mul33x33(math_mul33x33(Fg_new,invFp_new),invFi_new) ! calc resulting Fe
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!* calculate 1st Piola-Kirchhoff stress
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@ -386,6 +386,8 @@ end subroutine homogenization_RGC_partitionDeformation
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! "happy" with result
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!--------------------------------------------------------------------------------------------------
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function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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use prec, only: &
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dEq
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use debug, only: &
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debug_level, &
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debug_homogenization,&
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@ -441,10 +443,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix
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real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax
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if(abs(dt) < tiny(0.0_pReal)) then ! zero time step
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homogenization_RGC_updateState = .true. ! pretend everything is fine and return
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zeroTimeStep: if(dEq(dt,0.0_pReal)) then
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homogenization_RGC_updateState = .true. ! pretend everything is fine and return
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return
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endif
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endif zeroTimeStep
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!--------------------------------------------------------------------------------------------------
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! get the dimension of the cluster (grains and interfaces)
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@ -761,6 +761,8 @@ end function math_inv33
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! returns error if not possible, i.e. if det close to zero
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!--------------------------------------------------------------------------------------------------
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pure subroutine math_invert33(A, InvA, DetA, error)
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use prec, only: &
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dEq
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implicit none
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logical, intent(out) :: error
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@ -774,7 +776,7 @@ pure subroutine math_invert33(A, InvA, DetA, error)
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DetA = A(1,1) * InvA(1,1) + A(1,2) * InvA(2,1) + A(1,3) * InvA(3,1)
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if (abs(DetA) <= tiny(DetA)) then
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if (dEq(DetA,0.0_pReal)) then
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InvA = 0.0_pReal
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error = .true.
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else
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@ -1279,6 +1281,8 @@ end function math_qNorm
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!> @brief quaternion inversion
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!--------------------------------------------------------------------------------------------------
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pure function math_qInv(Q)
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use prec, only: &
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dNeq
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implicit none
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real(pReal), dimension(4), intent(in) :: Q
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@ -1288,8 +1292,7 @@ pure function math_qInv(Q)
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math_qInv = 0.0_pReal
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squareNorm = math_qDot(Q,Q)
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if (abs(squareNorm) > tiny(squareNorm)) &
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math_qInv = math_qConj(Q) / squareNorm
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if (dNeq(squareNorm,0.0_pReal)) math_qInv = math_qConj(Q) / squareNorm
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end function math_qInv
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@ -2093,6 +2096,8 @@ end function math_eigenvectorBasisSym33
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!> @brief rotational part from polar decomposition of 33 tensor m
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!--------------------------------------------------------------------------------------------------
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function math_rotationalPart33(m)
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use prec, only: &
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dEq
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use IO, only: &
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IO_warning
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@ -2104,12 +2109,12 @@ function math_rotationalPart33(m)
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U = math_eigenvectorBasisSym33(math_mul33x33(transpose(m),m))
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Uinv = math_inv33(U)
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if (all(abs(Uinv) <= tiny(Uinv))) then ! math_inv33 returns zero when failed, avoid floating point equality comparison
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inversionFailed: if (all(dEq(Uinv,0.0_pReal))) then
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math_rotationalPart33 = math_I3
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call IO_warning(650_pInt)
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else
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else inversionFailed
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math_rotationalPart33 = math_mul33x33(m,Uinv)
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endif
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endif inversionFailed
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end function math_rotationalPart33
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@ -981,7 +981,8 @@ end subroutine plastic_disloUCLA_LpAndItsTangent
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
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use prec, only: &
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tol_math_check
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tol_math_check, &
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dEq
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use math, only: &
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pi
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use material, only: &
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@ -1119,7 +1120,7 @@ subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
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!* Dipole formation
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EdgeDipMinDistance = &
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plastic_disloUCLA_CEdgeDipMinDistance(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)
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if (abs(tau_slip_pos) <= tiny(0.0_pReal)) then
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if (dEq(tau_slip_pos,0.0_pReal)) then
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DotRhoDipFormation = 0.0_pReal
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else
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EdgeDipDistance = &
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@ -1147,7 +1148,7 @@ subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
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plastic_disloUCLA_CAtomicVolume(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)**(3.0_pReal)
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VacancyDiffusion = &
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plastic_disloUCLA_D0(instance)*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature))
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if (abs(tau_slip_pos) <= tiny(0.0_pReal)) then
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if (dEq(tau_slip_pos,0.0_pReal)) then
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DotRhoEdgeDipClimb = 0.0_pReal
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else
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ClimbVelocity = &
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@ -1180,7 +1181,8 @@ end subroutine plastic_disloUCLA_dotState
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!--------------------------------------------------------------------------------------------------
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function plastic_disloUCLA_postResults(Tstar_v,Temperature,ipc,ip,el)
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use prec, only: &
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tol_math_check
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tol_math_check, &
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dEq
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use math, only: &
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pi
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use material, only: &
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@ -1408,7 +1410,7 @@ function plastic_disloUCLA_postResults(Tstar_v,Temperature,ipc,ip,el)
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c = c + ns
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elseif(plastic_disloUCLA_outputID(o,instance) == stress_exponent_ID) then
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do j = 1_pInt, ns
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if (abs(gdot_slip_pos(j)+gdot_slip_neg(j))<=tiny(0.0_pReal)) then
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if (dEq(gdot_slip_pos(j)+gdot_slip_neg(j),0.0_pReal)) then
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plastic_disloUCLA_postResults(c+j) = 0.0_pReal
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else
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plastic_disloUCLA_postResults(c+j) = (tau_slip_pos(j)+tau_slip_neg(j))/&
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@ -200,6 +200,7 @@ contains
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subroutine plastic_dislotwin_init(fileUnit)
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use prec, only: &
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dEq, &
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dNeq
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use debug, only: &
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debug_level,&
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@ -751,8 +752,8 @@ subroutine plastic_dislotwin_init(fileUnit)
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if (plastic_dislotwin_Qsd(instance) <= 0.0_pReal) &
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call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')')
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if (sum(plastic_dislotwin_Ntwin(:,instance)) > 0_pInt) then
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if (abs(plastic_dislotwin_SFE_0K(instance)) <= tiny(0.0_pReal) .and. &
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abs(plastic_dislotwin_dSFE_dT(instance)) <= tiny(0.0_pReal) .and. &
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if (dEq(plastic_dislotwin_SFE_0K(instance), 0.0_pReal) .and. &
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dEq(plastic_dislotwin_dSFE_dT(instance),0.0_pReal) .and. &
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lattice_structure(phase) == LATTICE_fcc_ID) &
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call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
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if (plastic_dislotwin_aTolRho(instance) <= 0.0_pReal) &
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@ -761,8 +762,8 @@ subroutine plastic_dislotwin_init(fileUnit)
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call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')')
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endif
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if (sum(plastic_dislotwin_Ntrans(:,instance)) > 0_pInt) then
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if (abs(plastic_dislotwin_SFE_0K(instance)) <= tiny(0.0_pReal) .and. &
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abs(plastic_dislotwin_dSFE_dT(instance)) <= tiny(0.0_pReal) .and. &
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if (dEq(plastic_dislotwin_SFE_0K(instance), 0.0_pReal) .and. &
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dEq(plastic_dislotwin_dSFE_dT(instance),0.0_pReal) .and. &
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lattice_structure(phase) == LATTICE_fcc_ID) &
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call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
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if (plastic_dislotwin_aTolTransFrac(instance) <= 0.0_pReal) &
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@ -1630,7 +1631,8 @@ end subroutine plastic_dislotwin_microstructure
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature,ipc,ip,el)
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use prec, only: &
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tol_math_check
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tol_math_check, &
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dNeq
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use math, only: &
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math_Plain3333to99, &
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math_Mandel6to33, &
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@ -1777,8 +1779,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
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!--------------------------------------------------------------------------------------------------
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! Shear banding (shearband) part
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if(abs(plastic_dislotwin_sbVelocity(instance)) > tiny(0.0_pReal) .and. &
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abs(plastic_dislotwin_sbResistance(instance)) > tiny(0.0_pReal)) then
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if(dNeq(plastic_dislotwin_sbVelocity(instance), 0.0_pReal) .and. &
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dNeq(plastic_dislotwin_sbResistance(instance),0.0_pReal)) then
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gdot_sb = 0.0_pReal
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dgdot_dtausb = 0.0_pReal
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call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error)
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@ -1944,7 +1946,8 @@ end subroutine plastic_dislotwin_LpAndItsTangent
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
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use prec, only: &
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tol_math_check
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tol_math_check, &
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dEq
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use math, only: &
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pi
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use material, only: &
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@ -2045,7 +2048,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
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!* Dipole formation
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EdgeDipMinDistance = &
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plastic_dislotwin_CEdgeDipMinDistance(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)
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if (abs(tau_slip(j)) <= tiny(0.0_pReal)) then
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if (dEq(tau_slip(j),0.0_pReal)) then
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DotRhoDipFormation = 0.0_pReal
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else
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EdgeDipDistance = &
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@ -2073,10 +2076,10 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
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plastic_dislotwin_CAtomicVolume(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)**(3.0_pReal)
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VacancyDiffusion = &
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plastic_dislotwin_D0(instance)*exp(-plastic_dislotwin_Qsd(instance)/(kB*Temperature))
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if (abs(tau_slip(j)) <= tiny(0.0_pReal)) then
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if (dEq(tau_slip(j),0.0_pReal)) then
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DotRhoEdgeDipClimb = 0.0_pReal
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else
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if (EdgeDipDistance-EdgeDipMinDistance <= tiny(0.0_pReal)) then
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if (dEq(EdgeDipDistance-EdgeDipMinDistance,0.0_pReal)) then
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DotRhoEdgeDipClimb = 0.0_pReal
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else
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ClimbVelocity = 3.0_pReal*lattice_mu(ph)*VacancyDiffusion*AtomicVolume/ &
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@ -2191,7 +2194,8 @@ end subroutine plastic_dislotwin_dotState
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!--------------------------------------------------------------------------------------------------
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function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
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use prec, only: &
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tol_math_check
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tol_math_check, &
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dEq
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use math, only: &
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pi, &
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math_Mandel6to33, &
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@ -2506,11 +2510,8 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
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endif
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!* Stress exponent
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if (abs(gdot_slip(j))<=tiny(0.0_pReal)) then
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plastic_dislotwin_postResults(c+j) = 0.0_pReal
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else
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plastic_dislotwin_postResults(c+j) = (tau/gdot_slip(j))*dgdot_dtauslip
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endif
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plastic_dislotwin_postResults(c+j) = &
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merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq(gdot_slip(j),0.0_pReal))
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enddo ; enddo
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c = c + ns
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case (sb_eigenvalues_ID)
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@ -524,6 +524,8 @@ end subroutine plastic_isotropic_LiAndItsTangent
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!> @brief calculates the rate of change of microstructure
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
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use prec, only: &
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dEq
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use math, only: &
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math_mul6x6
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use material, only: &
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@ -570,7 +572,7 @@ subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
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!--------------------------------------------------------------------------------------------------
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! hardening coefficient
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if (abs(gamma_dot) > 1e-12_pReal) then
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if (abs(param(instance)%tausat_SinhFitA) <= tiny(0.0_pReal)) then
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if (dEq(param(instance)%tausat_SinhFitA,0.0_pReal)) then
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saturation = param(instance)%tausat
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else
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saturation = ( param(instance)%tausat &
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@ -1549,6 +1549,8 @@ end subroutine plastic_nonlocal_aTolState
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!> @brief calculates quantities characterizing the microstructure
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_microstructure(Fe, Fp, ip, el)
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use prec, only: &
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dEq
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use IO, only: &
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IO_error
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use math, only: &
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@ -1792,7 +1794,7 @@ if (.not. phase_localPlasticity(ph) .and. shortRangeStressCorrection(instance))
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- neighbor_rhoExcess(c,s,neighbors(2))
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enddo
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invConnections = math_inv33(connections)
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if (all(abs(invConnections) <= tiny(0.0_pReal))) & ! check for failed in version (math_inv33 returns 0) and avoid floating point equality comparison
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if (all(dEq(invConnections,0.0_pReal))) &
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call IO_error(-1_pInt,ext_msg='back stress calculation: inversion error')
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rhoExcessGradient(c) = math_mul3x3(m(1:3,s,c), &
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math_mul33x3(invConnections,rhoExcessDifferences))
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@ -2200,6 +2202,8 @@ end subroutine plastic_nonlocal_LpAndItsTangent
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!> @brief (instantaneous) incremental change of microstructure
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_nonlocal_deltaState(Tstar_v,ip,el)
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use prec, only: &
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dNeq
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use debug, only: debug_level, &
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debug_constitutive, &
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debug_levelBasic, &
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@ -2322,8 +2326,8 @@ dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) / (4.0_pReal * pi * abs
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forall (c = 1_pInt:2_pInt)
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where(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+&
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abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)) >= tiny(0.0_pReal)) &
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where(dNeq(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+&
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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) &
|
||||
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
|
||||
dUpper(1:ns,c))
|
||||
|
|
@ -2335,7 +2339,7 @@ deltaDUpper = dUpper - dUpperOld
|
|||
!*** dissociation by stress increase
|
||||
deltaRhoDipole2SingleStress = 0.0_pReal
|
||||
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) &
|
||||
/ (dUpperOld(s,c) - dLower(s,c))
|
||||
|
||||
|
|
@ -2383,7 +2387,8 @@ subroutine plastic_nonlocal_dotState(Tstar_v, Fe, Fp, Temperature, &
|
|||
timestep,subfrac, ip,el)
|
||||
|
||||
use prec, only: DAMASK_NaN, &
|
||||
dNeq
|
||||
dNeq, &
|
||||
dEq
|
||||
use numerics, only: numerics_integrationMode, &
|
||||
numerics_timeSyncing
|
||||
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) &
|
||||
/ (4.0_pReal * pi * abs(tau))
|
||||
forall (c = 1_pInt:2_pInt)
|
||||
where(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)) &
|
||||
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)),0.0_pReal)) &
|
||||
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)), &
|
||||
dUpper(1:ns,c))
|
||||
|
|
@ -2830,11 +2835,11 @@ if (.not. phase_localPlasticity(material_phase(1_pInt,ip,el))) then
|
|||
my_rhoSgl = rhoSgl
|
||||
my_v = v
|
||||
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_v = v0
|
||||
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_v = v0
|
||||
endif
|
||||
|
|
@ -3172,6 +3177,8 @@ end subroutine plastic_nonlocal_updateCompatibility
|
|||
!* calculates quantities characterizing the microstructure *
|
||||
!*********************************************************************
|
||||
function plastic_nonlocal_dislocationstress(Fe, ip, el)
|
||||
use prec, only: &
|
||||
dEq
|
||||
use math, only: math_mul33x33, &
|
||||
math_mul33x3, &
|
||||
math_inv33, &
|
||||
|
|
@ -3384,7 +3391,7 @@ if (.not. phase_localPlasticity(ph)) then
|
|||
Rsquare = R * R
|
||||
Rcube = Rsquare * R
|
||||
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) &
|
||||
* flipSign * z / denominator &
|
||||
|
|
@ -3429,7 +3436,7 @@ if (.not. phase_localPlasticity(ph)) then
|
|||
Rsquare = R * R
|
||||
Rcube = Rsquare * R
|
||||
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 &
|
||||
* (1.0_pReal - lattice_nu(ph)) / denominator &
|
||||
|
|
@ -3518,6 +3525,8 @@ end function plastic_nonlocal_dislocationstress
|
|||
!> @brief return array of constitutive results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function plastic_nonlocal_postResults(Tstar_v,Fe,ip,el)
|
||||
use prec, only: &
|
||||
dNeq
|
||||
use math, only: &
|
||||
math_mul6x6, &
|
||||
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) &
|
||||
/ (4.0_pReal * pi * abs(tau))
|
||||
forall (c = 1_pInt:2_pInt)
|
||||
where(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)) &
|
||||
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)),0.0_pReal)) &
|
||||
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)), &
|
||||
dUpper(1:ns,c))
|
||||
|
|
|
|||
|
|
@ -112,6 +112,8 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
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 prec, only: &
|
||||
dEq
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_constitutive,&
|
||||
|
|
@ -481,7 +483,7 @@ subroutine plastic_phenoplus_init(fileUnit)
|
|||
if (any(plastic_phenoplus_tausat_slip(:,instance) <= 0.0_pReal .and. &
|
||||
plastic_phenoplus_Nslip(:,instance) > 0)) &
|
||||
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)) &
|
||||
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. &
|
||||
|
|
@ -923,6 +925,8 @@ end subroutine plastic_phenoplus_microstructure
|
|||
!> @brief calculates plastic velocity gradient and its tangent
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
|
||||
use prec, only: &
|
||||
dNeq
|
||||
use math, only: &
|
||||
math_Plain3333to99, &
|
||||
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)
|
||||
|
||||
! 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
|
||||
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) + &
|
||||
|
|
@ -1046,7 +1050,7 @@ subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
|
|||
nonSchmid_tensor(m,n,1)
|
||||
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
|
||||
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) + &
|
||||
|
|
@ -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)
|
||||
|
||||
! 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
|
||||
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) + &
|
||||
|
|
|
|||
|
|
@ -124,6 +124,8 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
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 prec, only: &
|
||||
dEq
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_constitutive,&
|
||||
|
|
@ -487,7 +489,7 @@ subroutine plastic_phenopowerlaw_init(fileUnit)
|
|||
if (any(plastic_phenopowerlaw_tausat_slip(:,instance) <= 0.0_pReal .and. &
|
||||
plastic_phenopowerlaw_Nslip(:,instance) > 0)) &
|
||||
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)) &
|
||||
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. &
|
||||
|
|
@ -774,6 +776,8 @@ end subroutine plastic_phenopowerlaw_aTolState
|
|||
!> @brief calculates plastic velocity gradient and its tangent
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
|
||||
use prec, only: &
|
||||
dNeq
|
||||
use math, only: &
|
||||
math_Plain3333to99, &
|
||||
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)
|
||||
|
||||
! 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
|
||||
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) + &
|
||||
|
|
@ -871,7 +875,7 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,
|
|||
nonSchmid_tensor(m,n,1)
|
||||
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
|
||||
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) + &
|
||||
|
|
@ -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)
|
||||
|
||||
! 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
|
||||
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) + &
|
||||
|
|
|
|||
|
|
@ -115,7 +115,9 @@ module prec
|
|||
prec_init, &
|
||||
prec_isNaN, &
|
||||
dEq, &
|
||||
dNeq
|
||||
cEq, &
|
||||
dNeq, &
|
||||
cNeq
|
||||
|
||||
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
|
||||
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dEq(a,b,tol)
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: a,b
|
||||
real(pReal), intent(in) :: a,b
|
||||
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])))
|
||||
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
|
||||
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -205,9 +207,44 @@ logical elemental pure function dNeq(a,b,tol)
|
|||
implicit none
|
||||
real(pReal), intent(in) :: a,b
|
||||
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])))
|
||||
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
|
||||
|
|
|
|||
|
|
@ -402,7 +402,7 @@ subroutine utilities_updateGamma(C,saveReference)
|
|||
integer(pInt) :: &
|
||||
i, j, k, &
|
||||
l, m, n, o
|
||||
logical :: ierr
|
||||
logical :: err
|
||||
|
||||
C_ref = C
|
||||
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(1:3,4:6) = aimag(temp33_complex); matA(4:6,1:3) = -aimag(temp33_complex)
|
||||
if (abs(math_det33(matA(1:3,1:3))) > 1e-16) then
|
||||
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)
|
||||
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)* &
|
||||
|
|
@ -938,6 +938,10 @@ end subroutine utilities_fourierTensorDivergence
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
||||
P,C_volAvg,C_minmaxAvg,P_av,forwardData,rotation_BC)
|
||||
use prec, only: &
|
||||
dNeq
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use debug, only: &
|
||||
debug_reset, &
|
||||
debug_info
|
||||
|
|
@ -976,10 +980,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
age
|
||||
|
||||
integer(pInt) :: &
|
||||
j,k
|
||||
j,k,ierr
|
||||
real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF
|
||||
real(pReal) :: max_dPdF_norm, min_dPdF_norm, defgradDetMin, defgradDetMax, defgradDet
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
MPI_Reduce, &
|
||||
|
|
@ -1013,7 +1016,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
defgradDetMin = min(defgradDetMin,defgradDet)
|
||||
end do
|
||||
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)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
|
||||
if (worldrank == 0_pInt) then
|
||||
write(6,'(a,1x,es11.4)') ' max determinant of deformation =', defgradDetMax
|
||||
write(6,'(a,1x,es11.4)') ' min determinant of deformation =', defgradDetMin
|
||||
|
|
@ -1039,7 +1044,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
end do
|
||||
|
||||
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)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
|
||||
|
||||
C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF)
|
||||
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
|
||||
|
|
@ -1194,6 +1201,10 @@ end function utilities_getFreqDerivative
|
|||
! convolution
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_updateIPcoords(F)
|
||||
use prec, only: &
|
||||
cNeq
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use math, only: &
|
||||
math_mul33x3
|
||||
use mesh, only: &
|
||||
|
|
@ -1205,10 +1216,9 @@ subroutine utilities_updateIPcoords(F)
|
|||
implicit none
|
||||
|
||||
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(3,3) :: Favg
|
||||
PetscErrorCode :: ierr
|
||||
external &
|
||||
MPI_Bcast
|
||||
|
||||
|
|
@ -1219,8 +1229,8 @@ subroutine utilities_updateIPcoords(F)
|
|||
call utilities_FFTtensorForward()
|
||||
call utilities_fourierTensorDivergence()
|
||||
|
||||
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))) &
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid1Red
|
||||
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)/ &
|
||||
sum(conjg(-xi1st(1:3,i,j,k))*xi1st(1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
|
|
@ -1230,12 +1240,14 @@ subroutine utilities_updateIPcoords(F)
|
|||
! average F
|
||||
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)
|
||||
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)
|
||||
step = geomSize/real(grid, pReal)
|
||||
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)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='update_IPcoords')
|
||||
offset_coords = math_mul33x3(Favg,step/2.0_pReal) - offset_coords
|
||||
m = 1_pInt
|
||||
do k = 1_pInt,grid3; do j = 1_pInt,grid(2); do i = 1_pInt,grid(1)
|
||||
|
|
|
|||
Loading…
Reference in New Issue