added new cut back parameter for spectral solver and instrumented variables for use with doxygen
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Martin Diehl
parent
8078585ce8
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1cfc467705
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@ -62,9 +62,10 @@ rotation_tol 1.0e-12 # tolerance of rotation specified in load
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fftw_plan_mode FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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itmax 20 # Maximum iteration number
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itmin 2 # Minimum iteration number
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maxCutBack 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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memory_efficient 1 # Precalculate Gamma-operator (81 double per point)
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update_gamma 0 # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
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divergence_correction 0 # Use dimension-independent divergence criterion
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myspectralsolver AL # Type of spectral solver (AL-augmented lagrange, basic-basic)
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myspectralsolver basic # Type of spectral solver (basic: basic, basicPETSc: basic with PETSc, AL: augmented Lagrange)
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myfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...)
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petsc_options -snes_type ngmres -snes_ngmres_anderson -snes_view # PetSc solver options
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@ -26,71 +26,72 @@ use prec, only: pInt, pReal
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implicit none
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character(len=64), parameter, private ::&
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numerics_configFile = 'numerics.config' ! name of configuration file
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numerics_configFile = 'numerics.config' !< name of configuration file
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integer(pInt) :: iJacoStiffness = 1_pInt, & ! frequency of stiffness update
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iJacoLpresiduum = 1_pInt, & ! frequency of Jacobian update of residuum in Lp
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nHomog = 20_pInt, & ! homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
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nMPstate = 10_pInt, & ! materialpoint state loop limit
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nCryst = 20_pInt, & ! crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
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nState = 10_pInt, & ! state loop limit
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nStress = 40_pInt, & ! stress loop limit
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pert_method = 1_pInt, & ! method used in perturbation technique for tangent
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numerics_integrationMode = 0_pInt ! integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
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integer(pInt), dimension(2) :: numerics_integrator = 1_pInt ! method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
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real(pReal) :: relevantStrain = 1.0e-7_pReal, & ! strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
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defgradTolerance = 1.0e-7_pReal, & ! deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
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pert_Fg = 1.0e-7_pReal, & ! strain perturbation for FEM Jacobi
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subStepMinCryst = 1.0e-3_pReal, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepMinHomog = 1.0e-3_pReal, & ! minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeCryst = 0.25_pReal, & ! size of first substep when cutback in crystallite
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subStepSizeHomog = 0.25_pReal, & ! size of first substep when cutback in homogenization
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stepIncreaseCryst = 1.5_pReal, & ! increase of next substep size when previous substep converged in crystallite
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stepIncreaseHomog = 1.5_pReal, & ! increase of next substep size when previous substep converged in homogenization
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rTol_crystalliteState = 1.0e-6_pReal, & ! relative tolerance in crystallite state loop
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rTol_crystalliteTemperature= 1.0e-6_pReal, & ! relative tolerance in crystallite temperature loop
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rTol_crystalliteStress = 1.0e-6_pReal, & ! relative tolerance in crystallite stress loop
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aTol_crystalliteStress = 1.0e-8_pReal, & ! absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
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integer(pInt) :: iJacoStiffness = 1_pInt, & !< frequency of stiffness update
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iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
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nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
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nMPstate = 10_pInt, & !< materialpoint state loop limit
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nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
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nState = 10_pInt, & !< state loop limit
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nStress = 40_pInt, & !< stress loop limit
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pert_method = 1_pInt, & !< method used in perturbation technique for tangent
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numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
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integer(pInt), dimension(2) :: numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
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real(pReal) :: relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
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defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
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pert_Fg = 1.0e-7_pReal, & !< strain perturbation for FEM Jacobi
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subStepMinCryst = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite
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subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
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stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
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stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
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rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
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rTol_crystalliteTemperature= 1.0e-6_pReal, & !< relative tolerance in crystallite temperature loop
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rTol_crystalliteStress = 1.0e-6_pReal, & !< relative tolerance in crystallite stress loop
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aTol_crystalliteStress = 1.0e-8_pReal, & !< absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
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absTol_RGC = 1.0e+4_pReal, & ! absolute tolerance of RGC residuum
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relTol_RGC = 1.0e-3_pReal, & ! relative tolerance of RGC residuum
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absMax_RGC = 1.0e+10_pReal, & ! absolute maximum of RGC residuum
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relMax_RGC = 1.0e+2_pReal, & ! relative maximum of RGC residuum
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pPert_RGC = 1.0e-7_pReal, & ! perturbation for computing RGC penalty tangent
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xSmoo_RGC = 1.0e-5_pReal, & ! RGC penalty smoothing parameter (hyperbolic tangent)
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viscPower_RGC = 1.0e+0_pReal, & ! power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
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viscModus_RGC = 0.0e+0_pReal, & ! stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
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refRelaxRate_RGC = 1.0e-3_pReal, & ! reference relaxation rate in RGC viscosity
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maxdRelax_RGC = 1.0e+0_pReal, & ! threshold of maximum relaxation vector increment (if exceed this then cutback)
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maxVolDiscr_RGC = 1.0e-5_pReal, & ! threshold of maximum volume discrepancy allowed
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volDiscrMod_RGC = 1.0e+12_pReal, & ! stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
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volDiscrPow_RGC = 5.0_pReal ! powerlaw penalty for volume discrepancy
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logical :: analyticJaco = .false. ! use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
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absTol_RGC = 1.0e+4_pReal, & !< absolute tolerance of RGC residuum
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relTol_RGC = 1.0e-3_pReal, & !< relative tolerance of RGC residuum
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absMax_RGC = 1.0e+10_pReal, & !< absolute maximum of RGC residuum
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relMax_RGC = 1.0e+2_pReal, & !< relative maximum of RGC residuum
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pPert_RGC = 1.0e-7_pReal, & !< perturbation for computing RGC penalty tangent
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xSmoo_RGC = 1.0e-5_pReal, & !< RGC penalty smoothing parameter (hyperbolic tangent)
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viscPower_RGC = 1.0e+0_pReal, & !< power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
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viscModus_RGC = 0.0e+0_pReal, & !< stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
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refRelaxRate_RGC = 1.0e-3_pReal, & !< reference relaxation rate in RGC viscosity
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maxdRelax_RGC = 1.0e+0_pReal, & !< threshold of maximum relaxation vector increment (if exceed this then cutback)
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maxVolDiscr_RGC = 1.0e-5_pReal, & !< threshold of maximum volume discrepancy allowed
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volDiscrMod_RGC = 1.0e+12_pReal, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
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volDiscrPow_RGC = 5.0_pReal !< powerlaw penalty for volume discrepancy
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logical :: analyticJaco = .false. !< use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
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!* Random seeding parameters
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integer(pInt) :: fixedSeed = 0_pInt ! fixed seeding for pseudo-random number generator, Default 0: use random seed
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integer(pInt) :: fixedSeed = 0_pInt !< fixed seeding for pseudo-random number generator, Default 0: use random seed
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!* OpenMP variable
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integer(pInt) :: DAMASK_NumThreadsInt = 0_pInt ! value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
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integer(pInt) :: DAMASK_NumThreadsInt = 0_pInt !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
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!* spectral parameters:
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#ifdef Spectral
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real(pReal) :: err_div_tol = 0.1_pReal, & ! Div(P)/avg(P)*meter
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err_stress_tolrel = 0.01_pReal, & ! relative tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
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err_stress_tolabs = huge(1.0_pReal), & ! absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
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real(pReal) :: err_div_tol = 0.1_pReal, & !< Div(P)/avg(P)*meter
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err_stress_tolrel = 0.01_pReal, & !< relative tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
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err_stress_tolabs = huge(1.0_pReal), & !< absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
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err_f_tol = 1e-6_pReal, &
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err_p_tol = 1e-5_pReal, &
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fftw_timelimit = -1.0_pReal, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
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rotation_tol = 1.0e-12_pReal ! tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
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character(len=64) :: fftw_plan_mode = 'FFTW_PATIENT', & ! reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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myspectralsolver = 'basic' , & ! spectral solution method
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myfilter = 'none' ! spectral filtering method
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fftw_timelimit = -1.0_pReal, & !< sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
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rotation_tol = 1.0e-12_pReal !< tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
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character(len=64) :: fftw_plan_mode = 'FFTW_PATIENT', & !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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myspectralsolver = 'basic' , & !< spectral solution method
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myfilter = 'none' !< spectral filtering method
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character(len=1024) :: petsc_options = '-snes_type ngmres -snes_ngmres_anderson -snes_view'
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integer(pInt) :: fftw_planner_flag = 32_pInt, & ! conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
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itmax = 20_pInt, & ! maximum number of iterations
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itmin = 2_pInt ! minimum number of iterations
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logical :: memory_efficient = .true., & ! for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
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divergence_correction = .false., & ! correct divergence calculation in fourier space, Default .false.: no correction
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update_gamma = .false. ! update gamma operator with current stiffness, Default .false.: use initial stiffness
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integer(pInt) :: fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
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itmax = 20_pInt, & !< maximum number of iterations
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itmin = 2_pInt, & !< minimum number of iterations
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maxCutBack = 3_pInt !< max number of cut backs
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logical :: memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
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divergence_correction = .false., & !< correct divergence calculation in fourier space, Default .false.: no correction
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update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
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#endif
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@ -246,6 +247,8 @@ subroutine numerics_init
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itmax = IO_intValue(line,positions,2_pInt)
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case ('itmin')
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itmin = IO_intValue(line,positions,2_pInt)
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case ('maxcutback')
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maxCutBack = IO_intValue(line,positions,2_pInt)
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case ('memory_efficient')
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memory_efficient = IO_intValue(line,positions,2_pInt) > 0_pInt
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case ('fftw_timelimit')
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@ -279,7 +282,7 @@ subroutine numerics_init
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case ('err_div_tol','err_stress_tolrel','err_stress_tolabs',&
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'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode','myspectralsolver', &
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'rotation_tol','divergence_correction','update_gamma','petsc_options','myfilter', &
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'err_f_tol', 'err_p_tol')
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'err_f_tol', 'err_p_tol', 'maxcutback')
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call IO_warning(40_pInt,ext_msg=tag)
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#endif
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case default
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@ -364,6 +367,7 @@ subroutine numerics_init
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write(6,'(a24,1x,i8)') ' itmax: ',itmax
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write(6,'(a24,1x,i8)') ' itmin: ',itmin
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write(6,'(a24,1x,i8)') ' maxCutBack: ',maxCutBack
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write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
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if(fftw_timelimit<0.0_pReal) then
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write(6,'(a24,1x,L8)') ' fftw_timelimit: ',.false.
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@ -434,6 +438,7 @@ subroutine numerics_init
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if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolabs')
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if (itmax <= 1.0_pInt) call IO_error(301_pInt,ext_msg='itmax')
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if (itmin > itmax .or. itmin < 1_pInt) call IO_error(301_pInt,ext_msg='itmin')
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if (maxCutBack <= 1.0_pInt) call IO_error(301_pInt,ext_msg='maxCutBack')
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if (update_gamma .and. &
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.not. memory_efficient) call IO_error(error_ID = 847_pInt)
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#ifdef PETSc
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