|---------------------------------------------------------------------- | Run-time Perple_X 6.9.1 options: | For option documentation refer to: www.perplex.ethz.ch/perplex_options.html |------------------------------------------------------------- | NOTE: to avoid accidental option settings create personalized and/or | problem specific option files (e.g., my_problem_option.dat) that specify | only those options that have non-default values. |------------------------------------------------------------- | Comments must be preceeded by the "|" character. | 0) All keywords accept the default value, in which case the keyword is assigned its default attributes. | 1) Keywords and values are case sensitive. | 2) Keywords that take the value T (true) or F (false) are always binary. | 3) Keywords that take the value on, always may take the value off, but may accept other values as indicated below. | 4) Default keyword values are indicated in square brackets in the comment following each keyword. | To change the value of an option from "default" the word "default" | must be replaced with the desired value. For example, to change the | x-grid resolution from its default values [40 and 40] to 20 and 60, the | keyword must be changed from | x_nodes default ... | to | x_nodes 20 60 ... |---------------------------------------------------------------------- | 691+ options, these are options that did not exist in earlier versions: | setting intermediate_savrpc and intermediate_savdyn to T is the | method of first resort to improve on calculations with VERTEX/MEEMUM | that result in rough phase boundaries or blotchy patches of failed | optimizations. dynamic_LP_start default | [warm] hot, cold, warm. GFSM default | [F] allow GFSM/disable saturated-phase constraints intermediate_savrpc default | [F] save intermediate compositions during dynamic optiomization intermediate_savdyn default | [F] save intermediate dynamic compositions as auto-refine static compositions logarithmic_X default | [F] VERTEX/MEEMUM only, replace saturated phase compositional variable X with log10(X) LP_max_it default | [500] max number of iterations for a single LP optimization MINFRC_diff_increment default | [1d-7] finite difference increment used during NLP when analytical derivatives are not available MINFXC_solver default | [0] -1 -> 3, controls use of the specis/mifxc o/d solvers optimization_max_it default | [40] maximum number of sucessive LP optimizations optimization_precision default | [1d-3 energy unit] absolute precision for succesive LP optimization phi_d default | [0.36] 0-1, disaggregation porosity used by fluid_shear_modulus replicate_threshold default | [1d-2] effective initial resolution for auto-refine stage , nopt(35) rep_dynamic_threshold default | [1d-3] threshold for saving compositions during dynamic optimization, nopt(37) re-refine default | [F] allows iterative auto-refinement scatter-increment default | [1d-3] scatter increment for scatter-points option scatter-points default | [T] generate additional compositions scattered about refinement points fluid_shear_modulus default | [T] wetting model for aggregate shear modulus speciation_precision default | [1d-5] precision for non-GFSM fluid speciation calculations timing default | [T] output CPU time statistics warn_interactive default | [F] overrides interactive y/n warnings by setting the y answer warn_no_limit default | [F] overrides use of counters to limit the number of warning messages |---------------------------------------------------------------------- | 690- options that remain functional in 691+: 1d_path default | [40 150] exploratory and autorefine (grid parameters keyword group) absolute default | [F] WERAMI - output absolute component amounts Anderson-Gruneisen default | [F] Anderson-Gruneisen parameter correction for polythermal Murnaghan and Birch-Murnaghan approx_alpha default | [T] use approximation exp(x) ~ 1+x to evaluate expansivity effect on volume aq_bad_results default | [error]* 101 102 103 or ignore => response to suspect lagged speciation results. *defaults to 101 for fractionation problems aq_output default | [T] output back-calculated solute chemistry when electrolyte data is available aq_oxide_components default | [F] accomodate oxide components in aqueous speciation calculations aq_species default | [20] maximum number of solute species output (ranked by concentration) for back-calculated results aq_lagged_iterations default | [0] number of internal iterations for lagged speciation. aq_lagged_speciation default | [F] do lagged solute chemistry when electrolyte data is available aq_solute_composition default | [m] y => mole fractions, m => molality aq_solvent_composition default | [y] y => mole fractions, m => molality aq_solvent_solvus default | [T] allow solvent phase separation without aq_bad_results error trigger aq_vapor_epsilon default | [1.] dielectric constant threshold used to identify vapor auto_exclude default | [T] exclude phases or species with no associated P-V EoS auto_refine default | [auto] auto, manual, or off (auto_refine keyword group) auto_refine_file default | [T] echo exploratory stage auto-refine data to my_project_auto_refine.txt bad_number default | [NaN] any number or NaN (not-a-number) bounds default | [VRH] VRH or HS; Voigt-Reuss-Hill or Hashin-Shtrikman, see vrh/hs_averaging closed_c_space default | [T] T => closed composition space for gridded minimization composition_constant default | [F] allow constants in composition expressions composition_phase default | [mol] mol or wt (mass) phase compositions in WERAMI output composition_system default | [wt] mol or wt; system composition in WERAMI mode 2-4 output console_messages default | [on] off => suppresses most console messages (warnings, errors, etc) cumulative default | [F] WERAMI, computational mode 3, property choice #36 only!- cumulative component amounts (for fractionation problems) dependent_potentials default | [on] off => compute dependent thermodynamic potentials (usually chemical potentials) efficiency default | [3] 1->5, only relevant for CONVEX explicit_bulk_modulus default | [T] T => use explicit function for bulk modulii if available fancy_cumulative_modes default | [F] T => order cumulative modes to account for univariant reactions (WERAMI, mode 3, property 25) fd_expansion_factor default | [2] nth order finite difference increment is increased by fd_expansion_factor^(n-1) finite_difference_p default | [1d4 1d-2] threshold and fraction for 1st order finite difference increment on pressure fractionation_hi_limit default | [0.] 0-1, upper fractionation threshold, mass fraction fractionation_lo_limit default | [0.] 0-1, lower fractionation threshold, mass fraction grid_levels default | [1 4] exploratory and auto-refine (grid parameters keyword group) hard_limits default | [off] on or off; on => strictly impose compositional limits specified in solution model hybrid_EoS_H2O default | [4] 0-2, 4-5 => 0 - MRK, 1 HSMRK, 2 - CORK, 4 - PSEoS, 5 - Haar, 6 - Zhang & Duan 05, 7 - Zhang & Duan 09 hybrid_EoS_CO2 default | [4] 0-4 => 0 - MRK, 1 HSMRK, 2 - CORK, 3- Bottinga, 4 - PSEoS, 6 - Zhang & Duan 05, 7 - Zhang & Duan 09 hybrid_EoS_CH4 default | [1] 0-1 => 0 - MRK, 1 HSMRK, 7 - Zhang & Duan 09 increment default | [0.1 0.025] >0, < 1, fractional independent variable increments [exploratory and auto-refine], only relevant for CONVEX initial_resolution default | VERTEX/MEEMUM [1/5]. CONVEX: Schreinemakers [1/16 1/48], composition and mixed variable diagrams [1/16 1/160]. interim_results default | [auto] auto, off or on interpolation default | [on 2] value 1: on or off [on]; value 2, 1->99 [2]; only relevant for WERAMI linear_model default | [on] on or off, relevant for 2d gridded minimization logarithmic_p default | [F], VERTEX/MEEMUM only, replace pressure variable with log10(pressure) melt_is_fluid default | [T] identify melt (liquid) as fluid in MEEMUM/WERAMI output non_linear_switch default | VERTEX/MEEMUM [F], CONVEX [T], toggles whether nonlinear subdivision uses initial_resolution null_phase default | [F] include null phases in convexhull optimization with mobile components option_list_files default | [F] T => echo run-time options to my_project_PROGRAM_options.txt output_iteration_details default | [F] T => output intermediate adaptive optimization information output_iteration_G default | [F] T => print iteration G to monitor convergence during optimization pause_on_error default | [T] T => wait for user response after errors pc_perturbation default | [5d-3] pseudo-compound composition perturbation; only relevant for CONVEX poisson_ratio default | [on 0.35] value 1: on, off or all; value 2: 0->0.5; controls use of poisson ratio estimates for shear moduli poisson_test default | [F] T => use poisson ratio to check for valid results proportions default | [vol] vol, wt, or mol; volume, weight (mass), or molar phase proportions pseudocompound_file default | [F] echo static pseudocompound compositions to my_project_pseudocompound_list.txt reaction_format default | [minimum] minimum, full, stoich, S+V, or everything reaction_list default | [off] on or off refinement_points default | [auto] or an integer > 0, max number of metastable refinement points retained during adaptive minimization refinement_switch default | [F] allow metastable refinement points for stable solutions refine_endmembers default | [F] accept endmember compositions as refinement points reject_negative_sites default | [T] reject compositions with negative site populations sample_on_grid default | [T] F => WERAMI (mode 2) samples on the computational grid used by VERTEX seismic_output default | [some] all, some, none seismic_data_file default | [F] summarize options used for endmembers and solutions short_print default | [on] suppress output of equilibrium coordinates to the print file, only relevant for CONVEX solution_names default | [mod] mod, abb or ful; use the model, abbreviation, or full name for solution models for output solvus_tolerance default | [auto] auto or 0->1, should be > initial_resolution/auto_refine_factor solvus_tolerance_II default | [0.2] 0->1 speciation_max_it default | [100] maximum number of iterations permitted in iterative calculations species_output default | [T] T => output phase speciation in MEEMUM/WERAMI mode 1 output species_Gibbs_energies default | [F] T => output species Gibbs energies in MEEMUM/WERAMI mode 1 output spreadsheet default | [F] T => include independent variable values in WERAMI tab output files stretch_factor default | [2d-3] >0, <1; controls degree of assymmetry for non-linear subdivision (1 => linear, 0 => logarithmic) subdivision_override default | [off] off, linear, or stretch; overrides subdivision mode specified in solution models Tisza_test default | [T] F => use Tisza's criterion to identify invalid properties T_melt default | [873.] melt solution model endmember temperature (K) cut off T_stop default | [0.] equilibration temperature (K) cut off variance default | [1 99] exploratory and auto-refine; maximum variance of traced equilibria; only relevant for CONVEX vrh/hs_weighting default | [0.5] 0->1, weighting factor for the stiff average in VRH/HS averaging (see bounds) warning_ver637 default | [T] F -> warn and cease interpolation in WERAMI when immiscible solutions are present x_nodes default | [10 40] exploratory and auto-refine (grid parameters keyword group), lowest-level x grid resolution y_nodes default | [10 40] exploratory and auto-refine (grid parameters keyword group), lowest-level y grid resolution zero_mode default | [1e-6] 0->1, threshold below which the molar mode of a phase is set to 0; defaults to zero for fractionation calculations