shortened too long lines
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@ -583,9 +583,11 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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crystallite_invFp(1:3,1:3,c,i,e) = math_inv33(crystallite_Fp (1:3,1:3,c,i,e))
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crystallite_Fi (1:3,1:3,c,i,e) = crystallite_subFi0(1:3,1:3,c,i,e)
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crystallite_invFi(1:3,1:3,c,i,e) = math_inv33(crystallite_Fi (1:3,1:3,c,i,e))
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crystallite_Lp (1:3,1:3,c,i,e) = crystallite_subLp0(1:3,1:3,c,i,e)
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crystallite_Li (1:3,1:3,c,i,e) = crystallite_subLi0(1:3,1:3,c,i,e)
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crystallite_Tstar_v(1:6,c,i,e) = math_sym33to6(crystallite_subS0(1:3,1:3,c,i,e))
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if (crystallite_subStep(c,i,e) < 1.0_pReal) then ! actual (not initial) cutback
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crystallite_Lp (1:3,1:3,c,i,e) = crystallite_subLp0(1:3,1:3,c,i,e)
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crystallite_Li (1:3,1:3,c,i,e) = crystallite_subLi0(1:3,1:3,c,i,e)
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endif
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plasticState (phaseAt(c,i,e))%state( :,phasememberAt(c,i,e)) &
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= plasticState(phaseAt(c,i,e))%subState0(:,phasememberAt(c,i,e))
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do s = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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@ -1224,7 +1226,8 @@ logical function integrateStress(&
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST integrateStress >> failed on inversion of current Fi at el ip ipc ',&
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el,ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0_pInt) &
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> current Fi ',transpose(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> current Fi ', &
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transpose(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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#endif
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return
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endif failedInversionFi
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@ -1339,8 +1342,8 @@ logical function integrateStress(&
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST integrateStress >> dLp_dS', math_3333to99(dLp_dS)
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write(6,'(a,1x,e20.10)') '<< CRYST integrateStress >> dLp_dS norm', norm2(math_3333to99(dLp_dS))
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write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST integrateStress >> dRLp_dLp', dRLp_dLp - math_identity2nd(9_pInt)
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write(6,'(a,1x,e20.10)') '<< CRYST integrateStress >> dRLp_dLp norm', norm2(dRLp_dLp - math_identity2nd(9_pInt))
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write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST integrateStress >> dRLp_dLp', dRLp_dLp-math_identity2nd(9_pInt)
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write(6,'(a,1x,e20.10)') '<< CRYST integrateStress >> dRLp_dLp norm', norm2(dRLp_dLp-math_identity2nd(9_pInt))
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endif
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#endif
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dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine
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@ -1357,8 +1360,8 @@ logical function integrateStress(&
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write(6,*)
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dR_dLp',transpose(dRLp_dLp)
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dFe_dLp',transpose(math_3333to99(dFe_dLp))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dS_dFe_constitutive',transpose(math_3333to99(dS_dFe))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dLp_dS_constitutive',transpose(math_3333to99(dLp_dS))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dS_dFe (cnst)',transpose(math_3333to99(dS_dFe))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dLp_dS (cnst)',transpose(math_3333to99(dLp_dS))
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> A',transpose(A)
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> B',transpose(B)
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Lp_constitutive',transpose(Lp_constitutive)
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@ -1442,8 +1445,8 @@ logical function integrateStress(&
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write(6,*)
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dR_dLi',transpose(dRLi_dLi)
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dFe_dLi',transpose(math_3333to99(dFe_dLi))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dS_dFi_constitutive',transpose(math_3333to99(dS_dFi))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dLi_dS_constitutive',transpose(math_3333to99(dLi_dS))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dS_dFi (cnst)',transpose(math_3333to99(dS_dFi))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dLi_dS (cnst)',transpose(math_3333to99(dLi_dS))
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Li_constitutive',transpose(Li_constitutive)
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Liguess',transpose(Liguess)
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endif
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@ -1497,7 +1500,8 @@ logical function integrateStress(&
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,/)') '<< CRYST integrateStress >> successful integration'
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write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> P / MPa',transpose(crystallite_P(1:3,1:3,ipc,ip,el))*1.0e-6_pReal
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write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> P / MPa', &
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transpose(crystallite_P(1:3,1:3,ipc,ip,el))*1.0e-6_pReal
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write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> Cauchy / MPa', &
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math_mul33x33(crystallite_P(1:3,1:3,ipc,ip,el), transpose(Fg_new)) * 1.0e-6_pReal / math_det33(Fg_new)
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write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> Fe Lp Fe^-1', &
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@ -1568,8 +1572,10 @@ subroutine integrateStateFPI()
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crystalliteLooping: do while (.not. doneWithIntegration .and. NiterationState < nState)
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NiterationState = NiterationState + 1_pInt
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,i6)') '<< CRYST stateFPI >> state iteration ',NiterationState
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#endif
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! store previousDotState and previousDotState2
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@ -1793,15 +1799,15 @@ subroutine integrateStateAdaptiveEuler()
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residuum_plastic(1:sizeDotState,g,i,e) = plasticState(p)%dotstate(1:sizeDotState,c) &
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* (- 0.5_pReal * crystallite_subdt(g,i,e))
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plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%state(1:sizeDotState,c) &
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+ plasticState(p)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e) !ToDo: state, partitioned state?
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plasticState(p)%state(1:sizeDotState,c) = &
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plasticState(p)%state(1:sizeDotState,c) + plasticState(p)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e) !ToDo: state, partitioned state?
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do s = 1_pInt, phase_Nsources(p)
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sizeDotState = sourceState(p)%p(s)%sizeDotState
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residuum_source(1:sizeDotState,s,g,i,e) = sourceState(p)%p(s)%dotstate(1:sizeDotState,c) &
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* (- 0.5_pReal * crystallite_subdt(g,i,e))
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sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%state(1:sizeDotState,c) &
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+ sourceState(p)%p(s)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e) !ToDo: state, partitioned state?
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sourceState(p)%p(s)%state(1:sizeDotState,c) = &
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sourceState(p)%p(s)%state(1:sizeDotState,c) + sourceState(p)%p(s)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e) !ToDo: state, partitioned state?
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enddo
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endif
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enddo; enddo; enddo
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@ -1824,19 +1830,19 @@ subroutine integrateStateAdaptiveEuler()
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+ 0.5_pReal * plasticState(p)%dotState(:,c) * crystallite_subdt(g,i,e)
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crystallite_converged(g,i,e) = converged(residuum_plastic(1:sizeDotState,g,i,e), &
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plasticState(p)%state(1:sizeDotState,c), &
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plasticState(p)%aTolState(1:sizeDotState))
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plasticState(p)%state(1:sizeDotState,c), &
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plasticState(p)%aTolState(1:sizeDotState))
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do s = 1_pInt, phase_Nsources(p)
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sizeDotState = sourceState(p)%p(s)%sizeDotState
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residuum_source(1:sizeDotState,s,g,i,e) = residuum_source(1:sizeDotState,s,g,i,e) &
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+ 0.5_pReal * sourceState(p)%p(s)%dotState(:,c) * crystallite_subdt(g,i,e)
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residuum_source(1:sizeDotState,s,g,i,e) = &
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residuum_source(1:sizeDotState,s,g,i,e) + 0.5_pReal * sourceState(p)%p(s)%dotState(:,c) * crystallite_subdt(g,i,e)
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crystallite_converged(g,i,e) = crystallite_converged(g,i,e) .and.&
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converged(residuum_source(1:sizeDotState,s,g,i,e), &
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sourceState(p)%p(s)%state(1:sizeDotState,c), &
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sourceState(p)%p(s)%aTolState(1:sizeDotState))
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crystallite_converged(g,i,e) = &
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crystallite_converged(g,i,e) .and. converged(residuum_source(1:sizeDotState,s,g,i,e), &
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sourceState(p)%p(s)%state(1:sizeDotState,c), &
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sourceState(p)%p(s)%aTolState(1:sizeDotState))
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enddo
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endif
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@ -1938,11 +1944,11 @@ subroutine integrateStateRKCK45()
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implicit none
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real(pReal), dimension(5,5), parameter :: &
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A = reshape([&
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.2_pReal, .075_pReal, .3_pReal, -11.0_pReal/54.0_pReal, 1631.0_pReal/55296.0_pReal, &
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.0_pReal, .225_pReal, -.9_pReal, 2.5_pReal, 175.0_pReal/512.0_pReal, &
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.0_pReal, .0_pReal, 1.2_pReal, -70.0_pReal/27.0_pReal, 575.0_pReal/13824.0_pReal, &
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.0_pReal, .0_pReal, .0_pReal, 35.0_pReal/27.0_pReal, 44275.0_pReal/110592.0_pReal, &
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.0_pReal, .0_pReal, .0_pReal, .0_pReal, 253.0_pReal/4096.0_pReal], &
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.2_pReal, .075_pReal, .3_pReal, -11.0_pReal/54.0_pReal, 1631.0_pReal/55296.0_pReal, &
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.0_pReal, .225_pReal, -.9_pReal, 2.5_pReal, 175.0_pReal/512.0_pReal, &
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.0_pReal, .0_pReal, 1.2_pReal, -70.0_pReal/27.0_pReal, 575.0_pReal/13824.0_pReal, &
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.0_pReal, .0_pReal, .0_pReal, 35.0_pReal/27.0_pReal, 44275.0_pReal/110592.0_pReal, &
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.0_pReal, .0_pReal, .0_pReal, .0_pReal, 253.0_pReal/4096.0_pReal], &
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[5,5], order=[2,1]) !< coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6)
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real(pReal), dimension(6), parameter :: &
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@ -1950,8 +1956,8 @@ subroutine integrateStateRKCK45()
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[37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, &
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125.0_pReal/594.0_pReal, .0_pReal, 512.0_pReal/1771.0_pReal], & !< coefficients in Butcher tableau (used for final integration and error estimate)
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DB = B - &
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[2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,&
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13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 0.25_pReal] !< coefficients in Butcher tableau (used for final integration and error estimate)
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[2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,&
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13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 0.25_pReal] !< coefficients in Butcher tableau (used for final integration and error estimate)
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real(pReal), dimension(5), parameter :: &
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C = [0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal] !< coefficients in Butcher tableau (fractions of original time step in stages 2 to 6)
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@ -2081,10 +2087,10 @@ subroutine integrateStateRKCK45()
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do s = 1_pInt, phase_Nsources(p)
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sizeDotState = sourceState(p)%p(s)%sizeDotState
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crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and.&
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converged(residuum_source(1:sizeDotState,s,g,i,e), &
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sourceState(p)%p(s)%state(1:sizeDotState,cc), &
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sourceState(p)%p(s)%aTolState(1:sizeDotState))
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crystallite_todo(g,i,e) = &
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crystallite_todo(g,i,e) .and. converged(residuum_source(1:sizeDotState,s,g,i,e), &
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sourceState(p)%p(s)%state(1:sizeDotState,cc), &
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sourceState(p)%p(s)%aTolState(1:sizeDotState))
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enddo
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endif
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enddo; enddo; enddo
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@ -2368,9 +2374,9 @@ subroutine update_deltaState
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!$OMP FLUSH(nonlocalStop)
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if ((crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) .and. .not. nonlocalStop) then
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call constitutive_collectDeltaState(math_6toSym33(crystallite_Tstar_v(1:6,g,i,e)), &
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crystallite_Fe(1:3,1:3,g,i,e), &
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crystallite_Fi(1:3,1:3,g,i,e), &
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g,i,e)
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crystallite_Fe(1:3,1:3,g,i,e), &
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crystallite_Fi(1:3,1:3,g,i,e), &
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g,i,e)
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p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
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myOffset = plasticState(p)%offsetDeltaState
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mySize = plasticState(p)%sizeDeltaState
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@ -2379,17 +2385,15 @@ subroutine update_deltaState
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if (.not. NaN) then
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plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) = &
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plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) + &
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plasticState(p)%deltaState(1:mySize,c)
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plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) + plasticState(p)%deltaState(1:mySize,c)
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do s = 1_pInt, phase_Nsources(p)
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myOffset = sourceState(p)%p(s)%offsetDeltaState
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mySize = sourceState(p)%p(s)%sizeDeltaState
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NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(s)%deltaState(1:mySize,c)))
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if (.not. NaN) then
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sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset +mySize,c) = &
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sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset +mySize,c) + &
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sourceState(p)%p(s)%deltaState(1:mySize,c)
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sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset + mySize,c) = &
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sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset + mySize,c) + sourceState(p)%p(s)%deltaState(1:mySize,c)
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endif
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enddo
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endif
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@ -2455,9 +2459,9 @@ logical function stateJump(ipc,ip,el)
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p = phaseAt(ipc,ip,el)
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call constitutive_collectDeltaState(math_6toSym33(crystallite_Tstar_v(1:6,ipc,ip,el)), &
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crystallite_Fe(1:3,1:3,ipc,ip,el), &
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crystallite_Fi(1:3,1:3,ipc,ip,el), &
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ipc,ip,el)
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crystallite_Fe(1:3,1:3,ipc,ip,el), &
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crystallite_Fi(1:3,1:3,ipc,ip,el), &
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ipc,ip,el)
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myOffset = plasticState(p)%offsetDeltaState
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mySize = plasticState(p)%sizeDeltaState
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@ -2478,8 +2482,7 @@ logical function stateJump(ipc,ip,el)
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return
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endif
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sourceState(p)%p(mySource)%state(myOffset + 1_pInt: myOffset + mySize,c) = &
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sourceState(p)%p(mySource)%state(myOffset + 1_pInt: myOffset + mySize,c) + &
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sourceState(p)%p(mySource)%deltaState(1:mySize,c)
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sourceState(p)%p(mySource)%state(myOffset + 1_pInt: myOffset + mySize,c) + sourceState(p)%p(mySource)%deltaState(1:mySize,c)
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enddo
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#ifdef DEBUG
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