final renames (for the moment)
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@ -24,7 +24,7 @@ module plastic_disloUCLA
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undefined_ID, &
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undefined_ID, &
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rho_mob_ID, &
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rho_mob_ID, &
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rho_dip_ID, &
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rho_dip_ID, &
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gamma_dot_sl_ID, &
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dot_gamma_sl_ID, &
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gamma_sl_ID, &
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gamma_sl_ID, &
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Lambda_sl_ID, &
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Lambda_sl_ID, &
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thresholdstress_ID
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thresholdstress_ID
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@ -32,10 +32,10 @@ module plastic_disloUCLA
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type, private :: tParameters
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type, private :: tParameters
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real(pReal) :: &
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real(pReal) :: &
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aTolRho, &
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aTol_rho, &
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D, & !< grain size
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D, & !< grain size
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mu, &
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mu, &
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D0, & !< prefactor for self-diffusion coefficient
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D_0, & !< prefactor for self-diffusion coefficient
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Q_cl !< activation energy for dislocation climb
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Q_cl !< activation energy for dislocation climb
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real(pReal), dimension(:), allocatable :: &
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real(pReal), dimension(:), allocatable :: &
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rho_mob_0, & !< initial dislocation density
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rho_mob_0, & !< initial dislocation density
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@ -185,10 +185,10 @@ subroutine plastic_disloUCLA_init()
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! optional parameters that need to be defined
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! optional parameters that need to be defined
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prm%mu = lattice_mu(p)
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prm%mu = lattice_mu(p)
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prm%aTolRho = config%getFloat('atol_rho')
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prm%aTol_rho = config%getFloat('atol_rho')
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! sanity checks
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! sanity checks
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if (prm%aTolRho <= 0.0_pReal) extmsg = trim(extmsg)//' atol_rho'
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if (prm%aTol_rho <= 0.0_pReal) extmsg = trim(extmsg)//' atol_rho'
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! slip related parameters
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! slip related parameters
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@ -232,7 +232,7 @@ subroutine plastic_disloUCLA_init()
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prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl))
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prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl))
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prm%D = config%getFloat('grainsize')
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prm%D = config%getFloat('grainsize')
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prm%D0 = config%getFloat('d0')
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prm%D_0 = config%getFloat('d0')
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prm%Q_cl = config%getFloat('qsd')
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prm%Q_cl = config%getFloat('qsd')
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prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
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prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
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prm%D_a = config%getFloat('cedgedipmindistance') * prm%b_sl
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prm%D_a = config%getFloat('cedgedipmindistance') * prm%b_sl
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@ -257,7 +257,7 @@ subroutine plastic_disloUCLA_init()
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! sanity checks
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! sanity checks
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if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0'
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if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
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if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
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if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
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if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
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if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
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if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
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if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
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@ -291,7 +291,7 @@ subroutine plastic_disloUCLA_init()
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case ('dipole_density')
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case ('dipole_density')
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outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl>0)
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outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl>0)
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case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip')
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case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip')
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outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%sum_N_sl>0)
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outputID = merge(dot_gamma_sl_ID,undefined_ID,prm%sum_N_sl>0)
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case ('accumulated_shear','accumulatedshear','accumulated_shear_slip')
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case ('accumulated_shear','accumulatedshear','accumulated_shear_slip')
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outputID = merge(gamma_sl_ID,undefined_ID,prm%sum_N_sl>0)
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outputID = merge(gamma_sl_ID,undefined_ID,prm%sum_N_sl>0)
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case ('mfp','mfp_slip')
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case ('mfp','mfp_slip')
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@ -326,20 +326,20 @@ subroutine plastic_disloUCLA_init()
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stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase)
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stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase)
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dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
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dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho
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startIndex = endIndex + 1
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startIndex = endIndex + 1
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endIndex = endIndex + prm%sum_N_sl
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endIndex = endIndex + prm%sum_N_sl
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stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase)
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stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase)
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dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
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dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho
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startIndex = endIndex + 1
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startIndex = endIndex + 1
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endIndex = endIndex + prm%sum_N_sl
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endIndex = endIndex + prm%sum_N_sl
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stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
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stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
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dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
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dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !ToDo: better make optional parameter
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plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !Don't use for convergence check
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! global alias
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! global alias
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plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
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plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
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@ -359,7 +359,7 @@ end subroutine plastic_disloUCLA_init
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates plastic velocity gradient and its tangent
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!> @brief calculates plastic velocity gradient and its tangent
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of)
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pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
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implicit none
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implicit none
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real(pReal), dimension(3,3), intent(out) :: &
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real(pReal), dimension(3,3), intent(out) :: &
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@ -370,7 +370,7 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
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real(pReal), dimension(3,3), intent(in) :: &
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real(pReal), dimension(3,3), intent(in) :: &
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Mp !< Mandel stress
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Mp !< Mandel stress
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real(pReal), intent(in) :: &
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real(pReal), intent(in) :: &
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temperature !< temperature
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T !< temperature
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integer, intent(in) :: &
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integer, intent(in) :: &
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instance, &
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instance, &
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of
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of
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@ -386,7 +386,7 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
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associate(prm => param(instance))
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associate(prm => param(instance))
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call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
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call kinetics(Mp,T,instance,of,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
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do i = 1, prm%sum_N_sl
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do i = 1, prm%sum_N_sl
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Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%Schmid(1:3,1:3,i)
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Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%Schmid(1:3,1:3,i)
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forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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@ -436,7 +436,7 @@ subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
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tau_pos_out = tau_pos,tau_neg_out = tau_neg)
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tau_pos_out = tau_pos,tau_neg_out = tau_neg)
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dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
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dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
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VacancyDiffusion = prm%D0*exp(-prm%Q_cl/(kB*T))
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VacancyDiffusion = prm%D_0*exp(-prm%Q_cl/(kB*T))
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where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
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where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
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DotRhoDipFormation = 0.0_pReal
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DotRhoDipFormation = 0.0_pReal
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@ -500,7 +500,7 @@ end subroutine plastic_disloUCLA_dependentState
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief return array of constitutive results
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!> @brief return array of constitutive results
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postResults)
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function plastic_disloUCLA_postResults(Mp,T,instance,of) result(postResults)
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use prec, only: &
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use prec, only: &
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dEq, dNeq0
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dEq, dNeq0
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use math, only: &
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use math, only: &
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@ -511,7 +511,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
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real(pReal), dimension(3,3), intent(in) :: &
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real(pReal), dimension(3,3), intent(in) :: &
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Mp !< Mandel stress
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Mp !< Mandel stress
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real(pReal), intent(in) :: &
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real(pReal), intent(in) :: &
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temperature !< temperature
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T !< temperature
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integer, intent(in) :: &
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integer, intent(in) :: &
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instance, &
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instance, &
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of
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of
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@ -535,8 +535,8 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
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postResults(c+1:c+prm%sum_N_sl) = stt%rho_mob(1:prm%sum_N_sl,of)
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postResults(c+1:c+prm%sum_N_sl) = stt%rho_mob(1:prm%sum_N_sl,of)
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case (rho_dip_ID)
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case (rho_dip_ID)
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postResults(c+1:c+prm%sum_N_sl) = stt%rho_dip(1:prm%sum_N_sl,of)
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postResults(c+1:c+prm%sum_N_sl) = stt%rho_dip(1:prm%sum_N_sl,of)
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case (gamma_dot_sl_ID)
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case (dot_gamma_sl_ID)
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call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg)
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call kinetics(Mp,T,instance,of,gdot_pos,gdot_neg)
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postResults(c+1:c+prm%sum_N_sl) = gdot_pos + gdot_neg
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postResults(c+1:c+prm%sum_N_sl) = gdot_pos + gdot_neg
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case (gamma_sl_ID)
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case (gamma_sl_ID)
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postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl, of)
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postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl, of)
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@ -589,7 +589,7 @@ end subroutine plastic_disloUCLA_results
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! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
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! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
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! have the optional arguments at the end
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! have the optional arguments at the end
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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pure subroutine kinetics(Mp,Temperature,instance,of, &
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pure subroutine kinetics(Mp,T,instance,of, &
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gamma_pos,gamma_neg,dgamma_dtau_pos,dgamma_dtau_neg,tau_pos_out,tau_neg_out)
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gamma_pos,gamma_neg,dgamma_dtau_pos,dgamma_dtau_neg,tau_pos_out,tau_neg_out)
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use prec, only: &
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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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@ -602,7 +602,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
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real(pReal), dimension(3,3), intent(in) :: &
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real(pReal), dimension(3,3), intent(in) :: &
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Mp !< Mandel stress
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Mp !< Mandel stress
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real(pReal), intent(in) :: &
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real(pReal), intent(in) :: &
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temperature !< temperature
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T !< temperature
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integer, intent(in) :: &
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integer, intent(in) :: &
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instance, &
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instance, &
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of
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of
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@ -635,7 +635,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
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if (present(tau_pos_out)) tau_pos_out = tau_pos
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if (present(tau_pos_out)) tau_pos_out = tau_pos
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if (present(tau_neg_out)) tau_neg_out = tau_neg
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if (present(tau_neg_out)) tau_neg_out = tau_neg
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associate(BoltzmannRatio => prm%delta_F/(kB*Temperature), &
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associate(BoltzmannRatio => prm%delta_F/(kB*T), &
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DotGamma0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, &
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DotGamma0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, &
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effectiveLength => dst%Lambda_sl(:,of) - prm%w)
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effectiveLength => dst%Lambda_sl(:,of) - prm%w)
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