polishing
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@ -583,7 +583,7 @@ NiterationCrystallite = 0_pInt
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numerics_integrationMode = 1_pInt
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do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))) ! cutback loop for crystallites
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!$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep)
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!$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep)
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
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@ -594,21 +594,21 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
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if (crystallite_converged(g,i,e)) then
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formerSubStep = crystallite_subStep(g,i,e)
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crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
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!$OMP FLUSH(crystallite_subFrac)
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!$OMP FLUSH(crystallite_subFrac)
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crystallite_subStep(g,i,e) = min( 1.0_pReal - crystallite_subFrac(g,i,e), &
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stepIncreaseCryst * crystallite_subStep(g,i,e) )
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!$OMP FLUSH(crystallite_subStep)
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!$OMP FLUSH(crystallite_subStep)
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if (crystallite_subStep(g,i,e) > 0.0_pReal) then
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crystallite_subTemperature0(g,i,e) = crystallite_Temperature(g,i,e) ! wind forward...
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crystallite_subF0(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ...def grad
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!$OMP FLUSH(crystallite_subF0)
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!$OMP FLUSH(crystallite_subF0)
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crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e) ! ...plastic def grad
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crystallite_subFe0(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) ! only needed later on for stiffness calculation
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crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e) ! ...plastic velocity gradient
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constitutive_subState0(g,i,e)%p = constitutive_state(g,i,e)%p ! ...microstructure
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crystallite_subTstar0_v(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e) ! ...2nd PK stress
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crystallite_todo(g,i,e) = .true.
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!$OMP FLUSH(crystallite_todo)
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!$OMP FLUSH(crystallite_todo)
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#ifndef _OPENMP
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if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
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.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
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@ -621,7 +621,7 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
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#endif
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elseif (formerSubStep > 0.0_pReal) then ! this crystallite just converged
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crystallite_todo(g,i,e) = .false. ! so done here
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!$OMP FLUSH(crystallite_todo)
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!$OMP FLUSH(crystallite_todo)
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if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then
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!$OMP CRITICAL (distributionCrystallite)
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debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = &
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@ -634,18 +634,18 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
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else
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crystallite_subStep(g,i,e) = subStepSizeCryst * crystallite_subStep(g,i,e) ! cut step in half and restore...
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!$OMP FLUSH(crystallite_subStep)
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!$OMP FLUSH(crystallite_subStep)
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crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature
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crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e) ! ...plastic def grad
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!$OMP FLUSH(crystallite_Fp)
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!$OMP FLUSH(crystallite_Fp)
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crystallite_invFp(1:3,1:3,g,i,e) = math_inv33(crystallite_Fp(1:3,1:3,g,i,e))
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!$OMP FLUSH(crystallite_invFp)
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!$OMP FLUSH(crystallite_invFp)
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crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad
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constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
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crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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crystallite_todo(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
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!$OMP FLUSH(crystallite_todo)
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!$OMP FLUSH(crystallite_todo)
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#ifndef _OPENMP
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if (crystallite_todo(g,i,e) &
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.and. iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
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@ -664,16 +664,16 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
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crystallite_subF(1:3,1:3,g,i,e) = crystallite_subF0(1:3,1:3,g,i,e) &
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+ crystallite_subStep(g,i,e) &
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* (crystallite_partionedF(1:3,1:3,g,i,e) - crystallite_partionedF0(1:3,1:3,g,i,e))
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!$OMP FLUSH(crystallite_subF)
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!$OMP FLUSH(crystallite_subF)
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crystallite_Fe(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e))
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crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e)
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crystallite_converged(g,i,e) = .false. ! start out non-converged
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endif
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enddo
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enddo
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enddo
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!$OMP END PARALLEL DO
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enddo ! grains
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enddo ! IPs
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enddo ! elements
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!$OMP END PARALLEL DO
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! --- integrate --- requires fully defined state array (basic + dependent state)
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@ -689,10 +689,10 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
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call crystallite_integrateStateRK4()
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case(5_pInt)
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call crystallite_integrateStateRKCK45()
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endselect
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end select
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endif
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where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) &
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where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further
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crystallite_todo = .true.
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NiterationCrystallite = NiterationCrystallite + 1_pInt
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@ -709,7 +709,7 @@ do e = FEsolving_execElem(1),FEsolving_execElem(2)
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if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
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if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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!$OMP CRITICAL (write2out)
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> no convergence : respond fully elastic at el ip g ',e,i,g
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> no convergence: respond fully elastic at el ip g ',e,i,g
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write(6,*)
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!$OMP END CRITICAL (write2out)
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endif
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@ -743,7 +743,6 @@ if(updateJaco) then
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numerics_integrationMode = 2_pInt
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! --- BACKUP ---
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
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@ -771,7 +770,7 @@ if(updateJaco) then
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dPdF_perturbation1 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
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dPdF_perturbation2 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
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do perturbation = 1,2 ! forward and backward perturbation
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if (iand(pert_method,perturbation) > 0) then ! mask for desired direction
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if (iand(pert_method,perturbation) > 0_pInt) then ! mask for desired direction
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myPert = -pert_Fg * (-1.0_pReal)**perturbation ! set perturbation step
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do k = 1,3; do l = 1,3 ! ...alter individual components
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
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@ -855,7 +854,8 @@ if(updateJaco) then
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end select
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enddo
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enddo; enddo ! k,l loop
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enddo; enddo ! k,l component perturbation loop
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endif
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enddo ! perturbation direction
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@ -943,14 +943,14 @@ if(updateJaco) then
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FDot_inv = crystallite_subF(1:3,1:3,g,i,e) - crystallite_F0(1:3,1:3,g,i,e)
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counter = 0.0_pReal
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do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
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if (abs(FDot_inv(o,p)) .lt. relevantStrain) then
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if (abs(FDot_inv(o,p)) < relevantStrain) then
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FDot_inv(o,p) = 0.0_pReal
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else
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counter = counter + 1.0_pReal
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FDot_inv(o,p) = crystallite_dt(g,i,e)/FDot_inv(o,p)
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endif
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enddo; enddo
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if (counter .gt. 0.0_pReal) FDot_inv = FDot_inv/counter
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if (counter > 0.0_pReal) FDot_inv = FDot_inv/counter
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do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
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dFp_invdFdot(o,p,1:3,1:3) = Fpinv_rate(o,p)*FDot_inv
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enddo; enddo
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