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Store data only where needed

This commit is contained in:
Martin Diehl 2020-03-17 07:35:25 +01:00
parent 6097267cd2
commit b4ed508745
1 changed files with 92 additions and 85 deletions
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177
src/constitutive_plastic_nonlocal.f90
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@ -44,6 +44,22 @@ submodule(constitutive) plastic_nonlocal
real(pReal), dimension(:,:,:,:,:,:), allocatable :: & real(pReal), dimension(:,:,:,:,:,:), allocatable :: &
compatibility !< slip system compatibility between me and my neighbors compatibility !< slip system compatibility between me and my neighbors
type :: tInitialParameters !< container type for internal constitutive parameters
real(pReal) :: &
rhoSglScatter, & !< standard deviation of scatter in initial dislocation density
rhoSglRandom, &
rhoSglRandomBinning
real(pReal), dimension(:), allocatable :: &
rhoSglEdgePos0, & !< initial edge_pos dislocation density
rhoSglEdgeNeg0, & !< initial edge_neg dislocation density
rhoSglScrewPos0, & !< initial screw_pos dislocation density
rhoSglScrewNeg0, & !< initial screw_neg dislocation density
rhoDipEdge0, & !< initial edge dipole dislocation density
rhoDipScrew0 !< initial screw dipole dislocation density
integer, dimension(:) ,allocatable :: &
N_sl
end type tInitialParameters
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
atomicVolume, & !< atomic volume atomicVolume, & !< atomic volume
@ -60,31 +76,22 @@ submodule(constitutive) plastic_nonlocal
q, & !< parameter for kinetic law (Kocks,Argon,Ashby) q, & !< parameter for kinetic law (Kocks,Argon,Ashby)
viscosity, & !< viscosity for dislocation glide in Pa s viscosity, & !< viscosity for dislocation glide in Pa s
fattack, & !< attack frequency in Hz fattack, & !< attack frequency in Hz
rhoSglScatter, & !< standard deviation of scatter in initial dislocation density
surfaceTransmissivity, & !< transmissivity at free surface surfaceTransmissivity, & !< transmissivity at free surface
grainboundaryTransmissivity, & !< transmissivity at grain boundary (identified by different texture) grainboundaryTransmissivity, & !< transmissivity at grain boundary (identified by different texture)
CFLfactor, & !< safety factor for CFL flux condition CFLfactor, & !< safety factor for CFL flux condition
fEdgeMultiplication, & !< factor that determines how much edge dislocations contribute to multiplication (0...1) fEdgeMultiplication, & !< factor that determines how much edge dislocations contribute to multiplication (0...1)
rhoSglRandom, &
rhoSglRandomBinning, &
linetensionEffect, & linetensionEffect, &
edgeJogFactor, & edgeJogFactor, &
mu, & mu, &
nu nu
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
minDipoleHeight_edge, & !< minimum stable edge dipole height minDipoleHeight_edge, & !< minimum stable edge dipole height
minDipoleHeight_screw, & !< minimum stable screw dipole height minDipoleHeight_screw, & !< minimum stable screw dipole height
peierlsstress_edge, & peierlsstress_edge, &
peierlsstress_screw, & peierlsstress_screw, &
rhoSglEdgePos0, & !< initial edge_pos dislocation density
rhoSglEdgeNeg0, & !< initial edge_neg dislocation density
rhoSglScrewPos0, & !< initial screw_pos dislocation density
rhoSglScrewNeg0, & !< initial screw_neg dislocation density
rhoDipEdge0, & !< initial edge dipole dislocation density
rhoDipScrew0,& !< initial screw dipole dislocation density
lambda0, & !< mean free path prefactor for each lambda0, & !< mean free path prefactor for each
burgers !< absolute length of burgers vector [m] burgers !< absolute length of burgers vector [m]
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
slip_normal, & slip_normal, &
slip_direction, & slip_direction, &
slip_transverse, & slip_transverse, &
@ -93,22 +100,19 @@ submodule(constitutive) plastic_nonlocal
interactionSlipSlip ,& !< coefficients for slip-slip interaction interactionSlipSlip ,& !< coefficients for slip-slip interaction
forestProjection_Edge, & !< matrix of forest projections of edge dislocations forestProjection_Edge, & !< matrix of forest projections of edge dislocations
forestProjection_Screw !< matrix of forest projections of screw dislocations forestProjection_Screw !< matrix of forest projections of screw dislocations
real(pReal), dimension(:), allocatable :: &
nonSchmidCoeff
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
Schmid, & !< Schmid contribution Schmid, & !< Schmid contribution
nonSchmid_pos, & nonSchmid_pos, &
nonSchmid_neg !< combined projection of Schmid and non-Schmid contributions to the resolved shear stress (only for screws) nonSchmid_neg !< combined projection of Schmid and non-Schmid contributions to the resolved shear stress (only for screws)
integer :: & integer :: &
sum_N_sl sum_N_sl
integer, dimension(:) ,allocatable :: & integer, dimension(:), allocatable :: &
Nslip,&
colinearSystem !< colinear system to the active slip system (only valid for fcc!) colinearSystem !< colinear system to the active slip system (only valid for fcc!)
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), dimension(:), allocatable :: &
output output
logical :: & logical :: &
shortRangeStressCorrection, & !< flag indicating the use of the short range stress correction by a excess density gradient term shortRangeStressCorrection, & !< use of short range stress correction by excess density gradient term
probabilisticMultiplication nonSchmidActive = .false.
end type tParameters end type tParameters
type :: tNonlocalMicrostructure type :: tNonlocalMicrostructure
@ -162,16 +166,18 @@ contains
module subroutine plastic_nonlocal_init module subroutine plastic_nonlocal_init
integer :: & integer :: &
sizeState, sizeDotState,sizeDependentState, sizeDeltaState, &
Ninstance, & Ninstance, &
p, & p, &
l, & NipcMyPhase, &
sizeState, sizeDotState, sizeDependentState, sizeDeltaState, &
s1, s2, & s1, s2, &
s, & s, t, l
t real(pReal), dimension(:), allocatable :: &
a
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
integer :: NipcMyPhase type(tInitialParameters) :: &
ini
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONLOCAL_LABEL//' init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONLOCAL_LABEL//' init -+>>>'; flush(6)
@ -211,36 +217,36 @@ module subroutine plastic_nonlocal_init
prm%mu = lattice_mu(p) prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p) prm%nu = lattice_nu(p)
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) ini%N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(prm%Nslip)) prm%sum_N_sl = sum(abs(ini%N_sl))
slipActive: if (prm%sum_N_sl > 0) then slipActive: if (prm%sum_N_sl > 0) then
prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& prm%Schmid = lattice_SchmidMatrix_slip(ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then if(trim(config%getString('lattice_structure')) == 'bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& a = config%getFloats('nonschmid_coefficients',defaultVal = emptyRealArray)
defaultVal = emptyRealArray) if(size(a) > 0) prm%nonSchmidActive = .true.
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1) prm%nonSchmid_pos = lattice_nonSchmidMatrix(ini%N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1) prm%nonSchmid_neg = lattice_nonSchmidMatrix(ini%N_sl,a,-1)
else else
prm%nonSchmid_pos = prm%Schmid prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interactionSlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, & prm%interactionSlipSlip = lattice_interaction_SlipBySlip(ini%N_sl, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
prm%forestProjection_edge = lattice_forestProjection_edge (prm%Nslip,config%getString('lattice_structure'),& prm%forestProjection_edge = lattice_forestProjection_edge (ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection_screw = lattice_forestProjection_screw(prm%Nslip,config%getString('lattice_structure'),& prm%forestProjection_screw = lattice_forestProjection_screw(ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_direction = lattice_slip_direction (prm%Nslip,config%getString('lattice_structure'),& prm%slip_direction = lattice_slip_direction (ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_transverse = lattice_slip_transverse(prm%Nslip,config%getString('lattice_structure'),& prm%slip_transverse = lattice_slip_transverse(ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_normal = lattice_slip_normal (prm%Nslip,config%getString('lattice_structure'),& prm%slip_normal = lattice_slip_normal (ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
! collinear systems (only for octahedral slip systems in fcc) ! collinear systems (only for octahedral slip systems in fcc)
@ -253,31 +259,31 @@ module subroutine plastic_nonlocal_init
enddo enddo
enddo enddo
prm%rhoSglEdgePos0 = config%getFloats('rhosgledgepos0', requiredSize=size(prm%Nslip)) ini%rhoSglEdgePos0 = config%getFloats('rhosgledgepos0', requiredSize=size(ini%N_sl))
prm%rhoSglEdgeNeg0 = config%getFloats('rhosgledgeneg0', requiredSize=size(prm%Nslip)) ini%rhoSglEdgeNeg0 = config%getFloats('rhosgledgeneg0', requiredSize=size(ini%N_sl))
prm%rhoSglScrewPos0 = config%getFloats('rhosglscrewpos0', requiredSize=size(prm%Nslip)) ini%rhoSglScrewPos0 = config%getFloats('rhosglscrewpos0', requiredSize=size(ini%N_sl))
prm%rhoSglScrewNeg0 = config%getFloats('rhosglscrewneg0', requiredSize=size(prm%Nslip)) ini%rhoSglScrewNeg0 = config%getFloats('rhosglscrewneg0', requiredSize=size(ini%N_sl))
prm%rhoDipEdge0 = config%getFloats('rhodipedge0', requiredSize=size(prm%Nslip)) ini%rhoDipEdge0 = config%getFloats('rhodipedge0', requiredSize=size(ini%N_sl))
prm%rhoDipScrew0 = config%getFloats('rhodipscrew0', requiredSize=size(prm%Nslip)) ini%rhoDipScrew0 = config%getFloats('rhodipscrew0', requiredSize=size(ini%N_sl))
prm%lambda0 = config%getFloats('lambda0', requiredSize=size(prm%Nslip)) prm%lambda0 = config%getFloats('lambda0', requiredSize=size(ini%N_sl))
prm%burgers = config%getFloats('burgers', requiredSize=size(prm%Nslip)) prm%burgers = config%getFloats('burgers', requiredSize=size(ini%N_sl))
prm%lambda0 = math_expand(prm%lambda0,prm%Nslip) prm%lambda0 = math_expand(prm%lambda0,ini%N_sl)
prm%burgers = math_expand(prm%burgers,prm%Nslip) prm%burgers = math_expand(prm%burgers,ini%N_sl)
prm%minDipoleHeight_edge = config%getFloats('minimumdipoleheightedge', requiredSize=size(prm%Nslip)) prm%minDipoleHeight_edge = config%getFloats('minimumdipoleheightedge', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_screw = config%getFloats('minimumdipoleheightscrew', requiredSize=size(prm%Nslip)) prm%minDipoleHeight_screw = config%getFloats('minimumdipoleheightscrew', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_edge = math_expand(prm%minDipoleHeight_edge,prm%Nslip) prm%minDipoleHeight_edge = math_expand(prm%minDipoleHeight_edge, ini%N_sl)
prm%minDipoleHeight_screw = math_expand(prm%minDipoleHeight_screw,prm%Nslip) prm%minDipoleHeight_screw = math_expand(prm%minDipoleHeight_screw,ini%N_sl)
allocate(prm%minDipoleHeight(prm%sum_N_sl,2)) allocate(prm%minDipoleHeight(prm%sum_N_sl,2))
prm%minDipoleHeight(:,1) = prm%minDipoleHeight_edge prm%minDipoleHeight(:,1) = prm%minDipoleHeight_edge
prm%minDipoleHeight(:,2) = prm%minDipoleHeight_screw prm%minDipoleHeight(:,2) = prm%minDipoleHeight_screw
prm%peierlsstress_edge = config%getFloats('peierlsstressedge', requiredSize=size(prm%Nslip)) prm%peierlsstress_edge = config%getFloats('peierlsstressedge', requiredSize=size(ini%N_sl))
prm%peierlsstress_screw = config%getFloats('peierlsstressscrew', requiredSize=size(prm%Nslip)) prm%peierlsstress_screw = config%getFloats('peierlsstressscrew', requiredSize=size(ini%N_sl))
prm%peierlsstress_edge = math_expand(prm%peierlsstress_edge,prm%Nslip) prm%peierlsstress_edge = math_expand(prm%peierlsstress_edge, ini%N_sl)
prm%peierlsstress_screw = math_expand(prm%peierlsstress_screw,prm%Nslip) prm%peierlsstress_screw = math_expand(prm%peierlsstress_screw,ini%N_sl)
allocate(prm%peierlsstress(prm%sum_N_sl,2)) allocate(prm%peierlsstress(prm%sum_N_sl,2))
prm%peierlsstress(:,1) = prm%peierlsstress_edge prm%peierlsstress(:,1) = prm%peierlsstress_edge
prm%peierlsstress(:,2) = prm%peierlsstress_screw prm%peierlsstress(:,2) = prm%peierlsstress_screw
@ -302,10 +308,10 @@ module subroutine plastic_nonlocal_init
prm%fattack = config%getFloat('attackfrequency') prm%fattack = config%getFloat('attackfrequency')
! ToDo: discuss logic ! ToDo: discuss logic
prm%rhoSglScatter = config%getFloat('rhosglscatter') ini%rhoSglScatter = config%getFloat('rhosglscatter')
prm%rhoSglRandom = config%getFloat('rhosglrandom',0.0_pReal) ini%rhoSglRandom = config%getFloat('rhosglrandom',0.0_pReal)
if (config%keyExists('/rhosglrandom/')) & if (config%keyExists('/rhosglrandom/')) &
prm%rhoSglRandomBinning = config%getFloat('rhosglrandombinning',0.0_pReal) !ToDo: useful default? ini%rhoSglRandomBinning = config%getFloat('rhosglrandombinning',0.0_pReal) !ToDo: useful default?
! if (rhoSglRandom(instance) < 0.0_pReal) & ! if (rhoSglRandom(instance) < 0.0_pReal) &
! if (rhoSglRandomBinning(instance) <= 0.0_pReal) & ! if (rhoSglRandomBinning(instance) <= 0.0_pReal) &
@ -319,12 +325,12 @@ module subroutine plastic_nonlocal_init
if (any(prm%burgers < 0.0_pReal)) extmsg = trim(extmsg)//' burgers' if (any(prm%burgers < 0.0_pReal)) extmsg = trim(extmsg)//' burgers'
if (any(prm%lambda0 <= 0.0_pReal)) extmsg = trim(extmsg)//' lambda0' if (any(prm%lambda0 <= 0.0_pReal)) extmsg = trim(extmsg)//' lambda0'
if (any(prm%rhoSglEdgePos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglEdgePos0' if (any(ini%rhoSglEdgePos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglEdgePos0'
if (any(prm%rhoSglEdgeNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglEdgeNeg0' if (any(ini%rhoSglEdgeNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglEdgeNeg0'
if (any(prm%rhoSglScrewPos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglScrewPos0' if (any(ini%rhoSglScrewPos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglScrewPos0'
if (any(prm%rhoSglScrewNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglScrewNeg0' if (any(ini%rhoSglScrewNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglScrewNeg0'
if (any(prm%rhoDipEdge0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDipEdge0' if (any(ini%rhoDipEdge0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDipEdge0'
if (any(prm%rhoDipScrew0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDipScrew0' if (any(ini%rhoDipScrew0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDipScrew0'
if (any(prm%peierlsstress < 0.0_pReal)) extmsg = trim(extmsg)//' peierlsstress' if (any(prm%peierlsstress < 0.0_pReal)) extmsg = trim(extmsg)//' peierlsstress'
if (any(prm%minDipoleHeight < 0.0_pReal)) extmsg = trim(extmsg)//' minDipoleHeight' if (any(prm%minDipoleHeight < 0.0_pReal)) extmsg = trim(extmsg)//' minDipoleHeight'
@ -464,7 +470,7 @@ module subroutine plastic_nonlocal_init
allocate(dst%tau_back(prm%sum_N_sl,NipcMyPhase),source=0.0_pReal) allocate(dst%tau_back(prm%sum_N_sl,NipcMyPhase),source=0.0_pReal)
end associate end associate
if (NipcMyPhase > 0) call stateInit(p,NipcMyPhase) if (NipcMyPhase > 0) call stateInit(ini,p,NipcMyPhase)
plasticState(p)%state0 = plasticState(p)%state plasticState(p)%state0 = plasticState(p)%state
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -789,7 +795,7 @@ module subroutine plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
dv_dtauNS(:,2) = dv_dtauNS(:,1) dv_dtauNS(:,2) = dv_dtauNS(:,1)
!screws !screws
if (size(prm%nonSchmidCoeff) == 0) then if (prm%nonSchmidActive) then
v(:,3:4) = spread(v(:,1),2,2) v(:,3:4) = spread(v(:,1),2,2)
dv_dtau(:,3:4) = spread(dv_dtau(:,1),2,2) dv_dtau(:,3:4) = spread(dv_dtau(:,1),2,2)
dv_dtauNS(:,3:4) = spread(dv_dtauNS(:,1),2,2) dv_dtauNS(:,3:4) = spread(dv_dtauNS(:,1),2,2)
@ -1529,9 +1535,11 @@ end subroutine plastic_nonlocal_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief populates the initial dislocation density !> @brief populates the initial dislocation density
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine stateInit(phase,NipcMyPhase) subroutine stateInit(ini,phase,NipcMyPhase)
integer,intent(in) ::& type(tInitialParameters) :: &
ini
integer,intent(in) :: &
phase, & phase, &
NipcMyPhase NipcMyPhase
integer :: & integer :: &
@ -1555,42 +1563,42 @@ subroutine stateInit(phase,NipcMyPhase)
volume volume
instance = phase_plasticityInstance(phase) instance = phase_plasticityInstance(phase)
associate(prm => param(instance), stt => state(instance)) associate(stt => state(instance))
if (prm%rhoSglRandom > 0.0_pReal) then ! randomly distribute dislocation segments on random slip system and of random type in the volume if (ini%rhoSglRandom > 0.0_pReal) then ! randomly distribute dislocation segments on random slip system and of random type in the volume
do e = 1,discretization_nElem do e = 1,discretization_nElem
do i = 1,discretization_nIP do i = 1,discretization_nIP
if (material_phaseAt(1,e) == phase) volume(material_phasememberAt(1,i,e)) = IPvolume(i,e) if (material_phaseAt(1,e) == phase) volume(material_phasememberAt(1,i,e)) = IPvolume(i,e)
enddo enddo
enddo enddo
totalVolume = sum(volume) totalVolume = sum(volume)
minimumIPVolume = minval(volume) minimumIPVolume = minval(volume)
densityBinning = prm%rhoSglRandomBinning / minimumIpVolume ** (2.0_pReal / 3.0_pReal) densityBinning = ini%rhoSglRandomBinning / minimumIpVolume ** (2.0_pReal / 3.0_pReal)
! fill random material points with dislocation segments until the desired overall density is reached ! fill random material points with dislocation segments until the desired overall density is reached
meanDensity = 0.0_pReal meanDensity = 0.0_pReal
do while(meanDensity < prm%rhoSglRandom) do while(meanDensity < ini%rhoSglRandom)
call random_number(rnd) call random_number(rnd)
phasemember = nint(rnd(1)*real(NipcMyPhase,pReal) + 0.5_pReal) phasemember = nint(rnd(1)*real(NipcMyPhase,pReal) + 0.5_pReal)
s = nint(rnd(2)*real(prm%sum_N_sl,pReal)*4.0_pReal + 0.5_pReal) s = nint(rnd(2)*real(sum(ini%N_sl),pReal)*4.0_pReal + 0.5_pReal)
meanDensity = meanDensity + densityBinning * volume(phasemember) / totalVolume meanDensity = meanDensity + densityBinning * volume(phasemember) / totalVolume
stt%rhoSglMobile(s,phasemember) = densityBinning stt%rhoSglMobile(s,phasemember) = densityBinning
enddo enddo
else ! homogeneous distribution with noise else ! homogeneous distribution with noise
do e = 1, NipcMyPhase do e = 1, NipcMyPhase
do f = 1,size(prm%Nslip,1) do f = 1,size(ini%N_sl,1)
from = 1 + sum(prm%Nslip(1:f-1)) from = 1 + sum(ini%N_sl(1:f-1))
upto = sum(prm%Nslip(1:f)) upto = sum(ini%N_sl(1:f))
do s = from,upto do s = from,upto
noise = [math_sampleGaussVar(0.0_pReal, prm%rhoSglScatter), & noise = [math_sampleGaussVar(0.0_pReal, ini%rhoSglScatter), &
math_sampleGaussVar(0.0_pReal, prm%rhoSglScatter)] math_sampleGaussVar(0.0_pReal, ini%rhoSglScatter)]
stt%rho_sgl_mob_edg_pos(s,e) = prm%rhoSglEdgePos0(f) + noise(1) stt%rho_sgl_mob_edg_pos(s,e) = ini%rhoSglEdgePos0(f) + noise(1)
stt%rho_sgl_mob_edg_neg(s,e) = prm%rhoSglEdgeNeg0(f) + noise(1) stt%rho_sgl_mob_edg_neg(s,e) = ini%rhoSglEdgeNeg0(f) + noise(1)
stt%rho_sgl_mob_scr_pos(s,e) = prm%rhoSglScrewPos0(f) + noise(2) stt%rho_sgl_mob_scr_pos(s,e) = ini%rhoSglScrewPos0(f) + noise(2)
stt%rho_sgl_mob_scr_neg(s,e) = prm%rhoSglScrewNeg0(f) + noise(2) stt%rho_sgl_mob_scr_neg(s,e) = ini%rhoSglScrewNeg0(f) + noise(2)
enddo enddo
stt%rho_dip_edg(from:upto,e) = prm%rhoDipEdge0(f) stt%rho_dip_edg(from:upto,e) = ini%rhoDipEdge0(f)
stt%rho_dip_scr(from:upto,e) = prm%rhoDipScrew0(f) stt%rho_dip_scr(from:upto,e) = ini%rhoDipScrew0(f)
enddo enddo
enddo enddo
endif endif
@ -1651,7 +1659,6 @@ subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Temperat
dv_dtau = 0.0_pReal dv_dtau = 0.0_pReal
dv_dtauNS = 0.0_pReal dv_dtauNS = 0.0_pReal
do s = 1,ns do s = 1,ns
if (abs(tau(s)) > tauThreshold(s)) then if (abs(tau(s)) > tauThreshold(s)) then