more sensible sorting of sections; additional polish
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@ -1,28 +1,10 @@
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# Default values of all available numerical parameters
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# Default values of all available numerical parameters
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# Please note that keys are case sensitive
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# Please note that keys are case sensitive
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homogenization:
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mechanical:
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RGC:
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eps_abs_P: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
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eps_rel_P: 1.0e-3 # relative ...
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eps_abs_max: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
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eps_rel_max: 1.0e+2 # relative ...
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Delta_a: 1.0e-7 # perturbation for computing penalty tangent
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relevant_mismatch: 1.0e-5 # minimum threshold of mismatch
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viscosity_exponent: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
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viscosity_modulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
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# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
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dot_a_ref: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
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dot_a_max: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
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Delta_V_max: 1.0e-5 # maximum allowable relative volume discrepancy
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Delta_V_modulus: 1.0e+12
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Delta_V_exponent: 5.0
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solver:
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solver:
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grid:
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grid:
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N_staggered_iter_max: 10 # max number of field-level staggered iterations
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N_staggered_iter_max: 10 # max number of field-level staggered iterations
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N_cutback_max: 3 # maximum cut-back level (0: 1, 1: 0.5, 2: 0.25, etc)
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N_cutback_max: 3 # maximum cutback level (0: 1, 1: 0.5, 2: 0.25, etc)
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damage:
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damage:
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N_iter_max: 100 # maximum iteration number
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N_iter_max: 100 # maximum iteration number
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@ -41,7 +23,7 @@ solver:
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eps_rel_div(P): 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
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eps_rel_div(P): 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
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eps_abs_P: 1.0e3 # absolute tolerance for fulfillment of stress BC
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eps_abs_P: 1.0e3 # absolute tolerance for fulfillment of stress BC
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eps_rel_P: 1.0e-3 # relative tolerance for fulfillment of stress BC
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eps_rel_P: 1.0e-3 # relative tolerance for fulfillment of stress BC
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update_gamma: false # update Gamma-operator with current dPdF (not possible if FFT:memory_efficient=true)
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update_gamma: false # update Gamma-operator with current dPdF (not possible if FFT: memory_efficient == true)
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FFT:
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FFT:
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memory_efficient: true # precalculate Gamma-operator (81 doubles per point)
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memory_efficient: true # precalculate Gamma-operator (81 doubles per point)
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@ -50,21 +32,28 @@ solver:
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FFTW_plan_mode: FFTW_MEASURE # planning-rigor flags, see manual at https://www.fftw.org/fftw3_doc/Planner-Flags.html
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FFTW_plan_mode: FFTW_MEASURE # planning-rigor flags, see manual at https://www.fftw.org/fftw3_doc/Planner-Flags.html
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FFTW_timelimit: -1.0 # time limit of plan creation for FFTW, see manual on www.fftw.org. (-1.0: disable time limit)
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FFTW_timelimit: -1.0 # time limit of plan creation for FFTW, see manual on www.fftw.org. (-1.0: disable time limit)
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PETSc_options: -snes_type ngmres -snes_ngmres_anderson # PETSc solver options
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PETSc_options: -snes_type ngmres -snes_ngmres_anderson # PETSc solver options
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alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0 (alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme)
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alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0 (1.0: AL scheme, 2.0: accelerated scheme)
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beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0 ( beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme)
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beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0 (1.0: AL scheme, 2.0: accelerated scheme)
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eps_abs_curl(F): 1.0e-10 # absolute tolerance for fulfillment of strain compatibility
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eps_abs_curl(F): 1.0e-10 # absolute tolerance for fulfillment of strain compatibility
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eps_rel_curl(F): 5.0e-4 # relative tolerance for fulfillment of strain compatibility
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eps_rel_curl(F): 5.0e-4 # relative tolerance for fulfillment of strain compatibility
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mesh:
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homogenization:
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maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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mechanical:
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maxStaggeredIter: 10 # max number of field level staggered iterations
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RGC:
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structorder: 2 # order of displacement shape functions
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eps_abs_P: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
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bbarstabilisation: false
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eps_rel_P: 1.0e-3 # relative ...
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integrationorder: 2 # order of quadrature rule required
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eps_abs_max: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
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itmax: 250 # maximum iteration number
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eps_rel_max: 1.0e+2 # relative ...
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itmin: 2 # minimum iteration number
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Delta_a: 1.0e-7 # perturbation for computing penalty tangent
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eps_struct_atol: 1.0e-10 # absolute tolerance for mechanical equilibrium
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relevant_mismatch: 1.0e-5 # minimum threshold of mismatch
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eps_struct_rtol: 1.0e-4 # relative tolerance for mechanical equilibrium
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viscosity_exponent: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
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viscosity_modulus: 0.0e+0 # stress modulus of RGC numerical viscosity (0: without numerical viscosity)
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# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
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dot_a_ref: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
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dot_a_max: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
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Delta_V_max: 1.0e-5 # maximum allowable relative volume discrepancy
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Delta_V_modulus: 1.0e+12
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Delta_V_exponent: 5.0
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phase:
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phase:
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mechanical:
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mechanical:
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@ -75,7 +64,7 @@ phase:
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N_iter_state_max: 10 # state loop limit
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N_iter_state_max: 10 # state loop limit
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plastic:
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plastic:
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r_linesearch_Lp: 0.5 # factor to decrease the step due to non-convergence in Lp calculation
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r_linesearch_Lp: 0.5 # factor to decrease the step if Lp calculation fails to converge
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eps_rel_Lp: 1.0e-6 # relative tolerance in Lp residuum
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eps_rel_Lp: 1.0e-6 # relative tolerance in Lp residuum
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eps_abs_Lp: 1.0e-8 # absolute tolerance in Lp residuum
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eps_abs_Lp: 1.0e-8 # absolute tolerance in Lp residuum
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N_iter_Lp_max: 40 # stress loop limit for Lp
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N_iter_Lp_max: 40 # stress loop limit for Lp
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@ -83,7 +72,7 @@ phase:
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integrator_state: FPI # integration method (FPI = Fixed Point Iteration, Euler = Euler, AdaptiveEuler = Adaptive Euler, RK4 = classical 4th order Runge-Kutta, RKCK45 = 5th order Runge-Kutta Cash-Karp)
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integrator_state: FPI # integration method (FPI = Fixed Point Iteration, Euler = Euler, AdaptiveEuler = Adaptive Euler, RK4 = classical 4th order Runge-Kutta, RKCK45 = 5th order Runge-Kutta Cash-Karp)
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eigen:
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eigen:
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r_linesearch_Li: 0.5 # factor to decrease the step due to non-convergence in Li calculation
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r_linesearch_Li: 0.5 # factor to decrease the step if Li calculation fails to converge
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eps_rel_Li: 1.0e-6 # relative tolerance in Li residuum
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eps_rel_Li: 1.0e-6 # relative tolerance in Li residuum
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eps_abs_Li: 1.0e-8 # absolute tolerance in Li residuum
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eps_abs_Li: 1.0e-8 # absolute tolerance in Li residuum
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N_iter_Li_max: 40 # stress loop limit for Li
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N_iter_Li_max: 40 # stress loop limit for Li
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@ -95,3 +84,14 @@ commercialFEM:
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generic:
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generic:
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random_seed: 0 # fixed seeding for pseudo-random number generator (0: use random seed)
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random_seed: 0 # fixed seeding for pseudo-random number generator (0: use random seed)
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phi_min: 1.0e-6 # non-zero residual damage
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phi_min: 1.0e-6 # non-zero residual damage
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mesh:
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maxCutBack: 3 # maximum cutback level (0: 1, 1: 0.5, 2: 0.25, etc.)
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maxStaggeredIter: 10 # max number of field-level staggered iterations
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structorder: 2 # order of displacement shape functions
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bbarstabilisation: false
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integrationorder: 2 # order of quadrature rule required
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itmax: 250 # maximum iteration number
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itmin: 2 # minimum iteration number
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eps_struct_atol: 1.0e-10 # absolute tolerance for mechanical equilibrium
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eps_struct_rtol: 1.0e-4 # relative tolerance for mechanical equilibrium
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