simplified
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Martin Diehl
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@ -818,7 +818,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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Fe, & ! elastic deformation gradient
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Fe, & ! elastic deformation gradient
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temp_33
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temp_33
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real(pReal), dimension(9) :: work ! needed for matrix inversion by LAPACK
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real(pReal), dimension(9) :: work ! needed for matrix inversion by LAPACK
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integer, dimension(9) :: devNull ! needed for matrix inversion by LAPACK
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integer, dimension(9) :: devNull_9 ! needed for matrix inversion by LAPACK
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real(pReal), dimension(9,9) :: dRLp_dLp, & ! partial derivative of residuum (Jacobian for Newton-Raphson scheme)
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real(pReal), dimension(9,9) :: dRLp_dLp, & ! partial derivative of residuum (Jacobian for Newton-Raphson scheme)
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dRLp_dLp2, & ! working copy of dRdLp
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dRLp_dLp2, & ! working copy of dRdLp
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dRLi_dLi ! partial derivative of residuumI (Jacobian for Newton-Raphson scheme)
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dRLi_dLi ! partial derivative of residuumI (Jacobian for Newton-Raphson scheme)
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@ -836,7 +836,8 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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steplengthLi, &
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steplengthLi, &
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dt, & ! time increment
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dt, & ! time increment
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aTolLp, &
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aTolLp, &
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aTolLi
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aTolLi, &
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devNull
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integer NiterationStressLp, & ! number of stress integrations
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integer NiterationStressLp, & ! number of stress integrations
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NiterationStressLi, & ! number of inner stress integrations
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NiterationStressLi, & ! number of inner stress integrations
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ierr, & ! error indicator for LAPACK
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ierr, & ! error indicator for LAPACK
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@ -844,6 +845,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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p, &
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p, &
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jacoCounterLp, &
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jacoCounterLp, &
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jacoCounterLi ! counters to check for Jacobian update
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jacoCounterLi ! counters to check for Jacobian update
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logical :: error
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external :: &
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external :: &
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dgesv
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dgesv
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@ -861,53 +863,38 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! take as first guess
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Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! take as first guess
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Liguess = crystallite_Li(1:3,1:3,ipc,ip,el) ! take as first guess
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Liguess = crystallite_Li(1:3,1:3,ipc,ip,el) ! take as first guess
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Liguess_old = Liguess
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invFp_current = math_inv33(crystallite_subFp0(1:3,1:3,ipc,ip,el))
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call math_invert33(invFp_current,devNull,error,crystallite_subFp0(1:3,1:3,ipc,ip,el))
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failedInversionFp: if (all(dEq0(invFp_current))) then
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if (error) return
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return
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call math_invert33(invFi_current,devNull,error,crystallite_subFi0(1:3,1:3,ipc,ip,el))
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endif failedInversionFp
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if (error) return
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A = matmul(Fg_new,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
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A = matmul(Fg_new,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
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invFi_current = math_inv33(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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failedInversionFi: if (all(dEq0(invFi_current))) then
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return
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endif failedInversionFi
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!* start Li loop with normal step length
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!* start Li loop with normal step length
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NiterationStressLi = 0
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jacoCounterLi = 0
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jacoCounterLi = 0
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steplengthLi = 1.0_pReal
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steplengthLi = 1.0_pReal
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residuumLi_old = 0.0_pReal
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residuumLi_old = 0.0_pReal
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Liguess_old = Liguess
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LiLoop: do
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LiLoop: do NiterationStressLi=1,num%nStress
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NiterationStressLi = NiterationStressLi + 1
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LiLoopLimit: if (NiterationStressLi > num%nStress) then
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return
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endif LiLoopLimit
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invFi_new = matmul(invFi_current,math_I3 - dt*Liguess)
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invFi_new = matmul(invFi_current,math_I3 - dt*Liguess)
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Fi_new = math_inv33(invFi_new)
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Fi_new = math_inv33(invFi_new)
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detInvFi = math_det33(invFi_new)
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detInvFi = math_det33(invFi_new)
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!* start Lp loop with normal step length
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!* start Lp loop with normal step length
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NiterationStressLp = 0
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jacoCounterLp = 0
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jacoCounterLp = 0
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steplengthLp = 1.0_pReal
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steplengthLp = 1.0_pReal
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residuumLp_old = 0.0_pReal
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residuumLp_old = 0.0_pReal
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Lpguess_old = Lpguess
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Lpguess_old = Lpguess
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LpLoop: do
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LpLoop: do NiterationStressLp=1,num%nStress
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NiterationStressLp = NiterationStressLp + 1
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LpLoopLimit: if (NiterationStressLp > num%nStress) then
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return
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endif LpLoopLimit
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B = math_I3 - dt*Lpguess
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B = math_I3 - dt*Lpguess
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Fe = matmul(matmul(A,B), invFi_new)
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Fe = matmul(matmul(A,B), invFi_new)
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call constitutive_SandItsTangents(S, dS_dFe, dS_dFi, &
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call constitutive_SandItsTangents(S, dS_dFe, dS_dFi, &
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Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration
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Fe, Fi_new, ipc, ip, el)
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call constitutive_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
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call constitutive_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
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S, Fi_new, ipc, ip, el)
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S, Fi_new, ipc, ip, el)
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@ -921,8 +908,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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return ! ...me = .false. to inform integrator about problem
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return ! ...me = .false. to inform integrator about problem
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elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance
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elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance
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exit LpLoop ! ...leave iteration loop
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exit LpLoop ! ...leave iteration loop
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elseif ( NiterationStressLp == 1 &
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elseif (NiterationStressLp == 1 .or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
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.or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
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residuumLp_old = residuumLp ! ...remember old values and...
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residuumLp_old = residuumLp ! ...remember old values and...
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Lpguess_old = Lpguess
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Lpguess_old = Lpguess
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steplengthLp = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
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steplengthLp = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
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@ -942,10 +928,8 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
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- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
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dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine
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dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine
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work = math_33to9(residuumLp)
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work = math_33to9(residuumLp)
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call dgesv(9,1,dRLp_dLp2,9,devNull,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
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call dgesv(9,1,dRLp_dLp2,9,devNull_9,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
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if (ierr /= 0) then
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if (ierr /= 0) return
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return
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endif
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deltaLp = - math_9to33(work)
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deltaLp = - math_9to33(work)
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endif
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endif
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jacoCounterLp = jacoCounterLp + 1
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jacoCounterLp = jacoCounterLp + 1
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@ -965,8 +949,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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return ! ...me = .false. to inform integrator about problem
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return ! ...me = .false. to inform integrator about problem
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elseif (norm2(residuumLi) < aTolLi) then ! converged if below absolute tolerance
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elseif (norm2(residuumLi) < aTolLi) then ! converged if below absolute tolerance
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exit LiLoop ! ...leave iteration loop
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exit LiLoop ! ...leave iteration loop
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elseif ( NiterationStressLi == 1 &
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elseif (NiterationStressLi == 1 .or. norm2(residuumLi) < norm2(residuumLi_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
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.or. norm2(residuumLi) < norm2(residuumLi_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
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residuumLi_old = residuumLi ! ...remember old values and...
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residuumLi_old = residuumLi ! ...remember old values and...
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Liguess_old = Liguess
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Liguess_old = Liguess
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steplengthLi = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
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steplengthLi = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
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@ -987,14 +970,12 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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dFi_dLi(1:3,1:3,o,p) = matmul(matmul(Fi_new,dFi_dLi(1:3,1:3,o,p)),Fi_new)
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dFi_dLi(1:3,1:3,o,p) = matmul(matmul(Fi_new,dFi_dLi(1:3,1:3,o,p)),Fi_new)
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enddo; enddo
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enddo; enddo
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dRLi_dLi = math_identity2nd(9) &
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dRLi_dLi = math_identity2nd(9) &
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- math_3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) + &
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- math_3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) &
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math_mul3333xx3333(dS_dFi, dFi_dLi))) &
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+ math_mul3333xx3333(dS_dFi, dFi_dLi))) &
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- math_3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
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- math_3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
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work = math_33to9(residuumLi)
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work = math_33to9(residuumLi)
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call dgesv(9,1,dRLi_dLi,9,devNull,work,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
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call dgesv(9,1,dRLi_dLi,9,devNull_9,work,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
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if (ierr /= 0) then
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if (ierr /= 0) return
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return
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endif
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deltaLi = - math_9to33(work)
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deltaLi = - math_9to33(work)
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endif
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endif
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@ -1006,10 +987,8 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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!* calculate new plastic and elastic deformation gradient
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!* calculate new plastic and elastic deformation gradient
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invFp_new = matmul(invFp_current,B)
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invFp_new = matmul(invFp_current,B)
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invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize
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invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize
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Fp_new = math_inv33(invFp_new)
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call math_invert33(Fp_new,devNull,error,invFp_new)
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failedInversionInvFp: if (all(dEq0(Fp_new))) then
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if (error) return
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return
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endif failedInversionInvFp
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Fe_new = matmul(matmul(Fg_new,invFp_new),invFi_new)
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Fe_new = matmul(matmul(Fg_new,invFp_new),invFi_new)
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -1025,7 +1004,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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crystallite_invFp(1:3,1:3,ipc,ip,el) = invFp_new
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crystallite_invFp(1:3,1:3,ipc,ip,el) = invFp_new
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crystallite_invFi(1:3,1:3,ipc,ip,el) = invFi_new
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crystallite_invFi(1:3,1:3,ipc,ip,el) = invFi_new
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end function integrateStress
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end function integrateStress
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