numerics.config is now optional; if this file does not exist in the working directory, standard values from numerics.f90 are used; either way the output file tells which values were taken.
added some output to the init subroutines of debug.f90, FEsolving.f90, lattice.f90, material.f90 and mesh.f90.
This commit is contained in:
Christoph Kords
parent
904ea78ac5
commit
ef8b672a00
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@ -32,6 +32,10 @@
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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character(len=1024) line
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write(6,*)
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write(6,*) '<<<+- FEsolving init -+>>>'
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write(6,*)
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if (IO_open_inputFile(fileunit)) then
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rewind(fileunit)
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@ -26,6 +26,10 @@ subroutine debug_init()
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nCryst
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implicit none
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write(6,*)
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write(6,*) '<<<+- debug init -+>>>'
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write(6,*)
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allocate(debug_StressLoopDistribution(nStress)) ; debug_StressLoopDistribution = 0_pInt
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allocate(debug_StateLoopDistribution(nState)) ; debug_StateLoopDistribution = 0_pInt
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allocate(debug_StiffnessStateLoopDistribution(nState)) ; debug_StiffnessStateLoopDistribution = 0_pInt
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@ -592,6 +592,10 @@ subroutine lattice_init()
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integer(pInt), parameter :: fileunit = 200
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integer(pInt) i,Nsections
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write(6,*)
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write(6,*) '<<<+- lattice init -+>>>'
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write(6,*)
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if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
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Nsections = IO_countSections(fileunit,material_partPhase)
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lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(fileunit,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex
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@ -73,6 +73,10 @@ subroutine material_init()
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integer(pInt), parameter :: fileunit = 200
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integer(pInt) i
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write(6,*)
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write(6,*) '<<<+- material init -+>>>'
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write(6,*)
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if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
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call material_parseHomogenization(fileunit,material_partHomogenization)
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call material_parseMicrostructure(fileunit,material_partMicrostructure)
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@ -192,6 +192,10 @@
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integer(pInt), parameter :: fileUnit = 222
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integer(pInt) e
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write(6,*)
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write(6,*) '<<<+- mesh init -+>>>'
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write(6,*)
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mesh_Nelems = 0_pInt
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mesh_NcpElems = 0_pInt
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mesh_Nnodes = 0_pInt
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@ -1,18 +1,20 @@
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relevantStrain 1.0e-7
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iJacoStiffness 1
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iJacoLpresiduum 1
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pert_Fg 1.0e-6
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nHomog 10
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nCryst 20
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nState 10
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nStress 40
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subStepMin 1.0e-3
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rTol_crystalliteState 1.0e-6
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rTol_crystalliteStress 1.0e-6
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aTol_crystalliteStress 1.0e-8
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### numerical parameters ###
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resToler 1.0e-4
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resAbsol 1.0e+2
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resBound 1.0e+1
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NRiterMax 24
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relevantStrain 1.0e-7 # strain increment considered significant
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iJacoStiffness 1 # frequency of stiffness update
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iJacoLpresiduum 1 # frequency of Jacobian update of residuum in Lp
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pert_Fg 1.0e-6 # strain perturbation for FEM Jacobi
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nHomog 10 # homogenization loop limit
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nCryst 20 # crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
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nState 10 # state loop limit
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nStress 40 # stress loop limit
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subStepMin 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
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rTol_crystalliteState 1.0e-6 # relative tolerance in crystallite state loop
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rTol_crystalliteStress 1.0e-6 # relative tolerance in crystallite stress loop
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aTol_crystalliteStress 1.0e-8 # absolute tolerance in crystallite stress loop
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resToler 1.0e-4 # relative tolerance of residual in GIA iteration
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resAbsol 1.0e+2 # absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa)
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resBound 1.0e+1 # relative maximum value (upper bound) for GIA residual
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NRiterMax 24 # maximum number of GIA iteration
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@ -74,71 +74,105 @@ subroutine numerics_init()
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! resBound
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! NRiterMax
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! initialize all values to zero
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relevantStrain = 0.0_pReal
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iJacoStiffness = 0_pInt
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iJacoLpresiduum = 0_pInt
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pert_Fg = 0.0_pReal
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nHomog = 0_pInt
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nCryst = 0_pInt
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nState = 0_pInt
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nStress = 0_pInt
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subStepMin = 0.0_pReal
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rTol_crystalliteState = 0.0_pReal
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rTol_crystalliteStress = 0.0_pReal
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aTol_crystalliteStress = 0.0_pReal
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resToler = 0.0_pReal
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resAbsol = 0.0_pReal
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resBound = 0.0_pReal
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NRiterMax = 0_pInt
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write(6,*)
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write(6,*) '<<<+- numerics init -+>>>'
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write(6,*)
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! try to open the config file and call error if corrupt
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if(.not. IO_open_file(fileunit,numerics_configFile)) call IO_error (100)
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! initialize all parameters with standard values
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relevantStrain = 1.0e-7_pReal
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iJacoStiffness = 1_pInt
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iJacoLpresiduum = 1_pInt
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pert_Fg = 1.0e-6_pReal
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nHomog = 10_pInt
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nCryst = 20_pInt
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nState = 10_pInt
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nStress = 40_pInt
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subStepMin = 1.0e-3_pReal
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rTol_crystalliteState = 1.0e-6_pReal
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rTol_crystalliteStress = 1.0e-6_pReal
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aTol_crystalliteStress = 1.0e-8_pReal
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resToler = 1.0e-4_pReal
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resAbsol = 1.0e+2_pReal
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resBound = 1.0e+1_pReal
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NRiterMax = 24_pInt
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line = ''
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! read variables from config file
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do
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read(fileunit,'(a1024)',END=100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
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select case(tag)
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case ('relevantstrain')
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relevantStrain = IO_floatValue(line,positions,2)
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case ('ijacostiffness')
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iJacoStiffness = IO_intValue(line,positions,2)
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case ('ijacolpresiduum')
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iJacoLpresiduum = IO_intValue(line,positions,2)
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case ('pert_fg')
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pert_Fg = IO_floatValue(line,positions,2)
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case ('nhomog')
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nHomog = IO_intValue(line,positions,2)
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case ('ncryst')
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nCryst = IO_intValue(line,positions,2)
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case ('nstate')
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nState = IO_intValue(line,positions,2)
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case ('nstress')
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nStress = IO_intValue(line,positions,2)
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case ('substepmin')
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subStepMin = IO_floatValue(line,positions,2)
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case ('rtol_crystallitestate')
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rTol_crystalliteState = IO_floatValue(line,positions,2)
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case ('rtol_crystallitestress')
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rTol_crystalliteStress = IO_floatValue(line,positions,2)
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case ('atol_crystallitestress')
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aTol_crystalliteStress = IO_floatValue(line,positions,2)
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case ('restoler')
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resToler = IO_floatValue(line,positions,2)
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case ('resabsol')
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resAbsol = IO_floatValue(line,positions,2)
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case ('resbound')
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resBound = IO_floatValue(line,positions,2)
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case ('nritermax')
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NRiterMax = IO_intValue(line,positions,2)
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end select
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enddo
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! try to open the config file
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if(IO_open_file(fileunit,numerics_configFile)) then
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write(6,*) ' ... using values from config file'
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write(6,*)
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line = ''
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! read variables from config file and overwrite parameters
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do
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read(fileunit,'(a1024)',END=100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
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select case(tag)
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case ('relevantstrain')
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relevantStrain = IO_floatValue(line,positions,2)
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case ('ijacostiffness')
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iJacoStiffness = IO_intValue(line,positions,2)
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case ('ijacolpresiduum')
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iJacoLpresiduum = IO_intValue(line,positions,2)
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case ('pert_fg')
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pert_Fg = IO_floatValue(line,positions,2)
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case ('nhomog')
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nHomog = IO_intValue(line,positions,2)
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case ('ncryst')
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nCryst = IO_intValue(line,positions,2)
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case ('nstate')
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nState = IO_intValue(line,positions,2)
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case ('nstress')
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nStress = IO_intValue(line,positions,2)
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case ('substepmin')
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subStepMin = IO_floatValue(line,positions,2)
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case ('rtol_crystallitestate')
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rTol_crystalliteState = IO_floatValue(line,positions,2)
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case ('rtol_crystallitestress')
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rTol_crystalliteStress = IO_floatValue(line,positions,2)
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case ('atol_crystallitestress')
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aTol_crystalliteStress = IO_floatValue(line,positions,2)
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case ('restoler')
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resToler = IO_floatValue(line,positions,2)
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case ('resabsol')
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resAbsol = IO_floatValue(line,positions,2)
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case ('resbound')
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resBound = IO_floatValue(line,positions,2)
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case ('nritermax')
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NRiterMax = IO_intValue(line,positions,2)
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endselect
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enddo
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100 close(fileunit)
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! no config file, so we use standard values
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else
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write(6,*) ' ... using standard values'
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write(6,*)
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endif
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! writing parameters to output file
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write(6,'(a24,x,e8.1)') 'relevantStrain: ',relevantStrain
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write(6,'(a24,x,i8)') 'iJacoStiffness: ',iJacoStiffness
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write(6,'(a24,x,i8)') 'iJacoLpresiduum: ',iJacoLpresiduum
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write(6,'(a24,x,e8.1)') 'pert_Fg: ',pert_Fg
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write(6,'(a24,x,i8)') 'nHomog: ',nHomog
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write(6,'(a24,x,i8)') 'nCryst: ',nCryst
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write(6,'(a24,x,i8)') 'nState: ',nState
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write(6,'(a24,x,i8)') 'nStress: ',nStress
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write(6,'(a24,x,e8.1)') 'subStepMin: ',subStepMin
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write(6,'(a24,x,e8.1)') 'rTol_crystalliteState: ',rTol_crystalliteState
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write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
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write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
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write(6,'(a24,x,e8.1)') 'resToler: ',resToler
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write(6,'(a24,x,e8.1)') 'resAbsol: ',resAbsol
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write(6,'(a24,x,e8.1)') 'resBound: ',resBound
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write(6,'(a24,x,i8)') 'NRiterMax: ',NRiterMax
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write(6,*)
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100 write(6,*)
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! sanity check
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if (relevantStrain <= 0.0_pReal) call IO_error(260)
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if (iJacoStiffness < 1_pInt) call IO_error(261)
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@ -157,13 +191,6 @@ subroutine numerics_init()
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if (resBound <= 0.0_pReal) call IO_error(274)
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if (NRiterMax < 1_pInt) call IO_error(275)
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close(fileunit)
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write(6,*)
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write(6,*) '<<<+- numerics init -+>>>'
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write(6,*) '...done'
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write(6,*)
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endsubroutine
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END MODULE numerics
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