|---------------------------------------------------------------------- | Run-time Perple_X 7.1.10 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 ... |---------------------------------------------------------------------- 1d_path default | [40 160] exploratory and autorefine (grid parameters keyword group) absolute default | [F] T => WERAMI - output absolute component amounts, lopt(41) Anderson-Gruneisen default | [F] T => Anderson-Gruneisen parameter correction for polythermal Murnaghan and Birch-Murnaghan approx_alpha default | [T] T => use approximation exp(x) ~ 1+x to evaluate expansivity effect on volume aq_error_ver100 default | [F] T => on lagged-speciation failure during iteration report optimization as failed aq_error_ver101 default | [T] T => abort lagged-speciation on solute component undersaturation, may be reset automatically aq_error_ver102 default | [T] T => abort lagged-speciation on coexisting pure and impure solvent phases aq_error_ver103 default | [T] T => abort lagged-speciation if HKF g-function is out of range aq_error_ver104 default | [T] T => abort on failed respeciation aq_fractionation_simpl default | [F] T => allow fractionation of simple back-calculated electrolytic fluid aq_output default | [T] T => output back-calculated solute chemistry when electrolyte data is available aq_oxide_components default | [F] T => 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] T => 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_tol default | [0.5] molar composition tolerance for GFSM solvi during lagged speciation, nopt(38) aq_vapor_epsilon default | [1.] dielectric constant threshold used to identify vapor auto_exclude default | [T] T=> automatically 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] T => echo exploratory stage auto-refine data to my_project_auto_refine.txt, lopt(11) 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 F default | [T] T => closed composition space for gridded minimization composition_constant default | [F] T = > allow constants in composition expressions composition_phase wt 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 compute_FD_increments default | [F] T = > compute finite difference increments automatically for MINFRC, lopt(66) console_messages default | [on] off => suppresses most console messages (warnings, errors, etc) cumulative default | [F] T => 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) do_not_reset_options default | [F] T => prevent automatic option resets dynamic_LP_start default | [warm] hot, cold, warm. efficiency default | [3] 1->5, only relevant for CONVEX error_ver109 default | [T] T => abort optimization if bad EoS phase is stable 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 finite_strain_alpha default | [F] T => use Helfrich finite strain expansivity EoS, lopt(68) fluid_shear_modulus default | [T] T => use fluid wetting model for aggregate shear modulus fractionation_hi_limit default | [0.] 0-1, upper fractionation threshold, mass fraction fractionation_lo_limit default | [0.] 0-1, lower fractionation threshold, mass fraction function_tolerance_exp default | [0.8] > 0.5, < 0.9, exponent (nopt(10)) used to set function tolerance (nopt(51)) from machine precision GFSM default | [F] T => default to GFSM and suppress saturated phase component constraint 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; iopt(25) 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, iopt(26) hybrid_EoS_CH4 default | [1] 0-1, 7 => 0 - MRK, 1 HSMRK, 7 - Zhang & Duan 09, iopt(27) 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 intermediate_savrpc default | [F] T=> save intermediate compositions during dynamic optiomization intermediate_savdyn default | [F] T=> save intermediate dynamic compositions as auto-refine static compositions 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 liquidus_resolution default | [1] resolution of the contour variable (usually T) used for liquidus mapping, nopt(2) logarithmic_p default | [F] T => VERTEX/MEEMUM only, replace pressure variable with log10(pressure) logarithmic_X default | [F] T => 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 max_warn_limit default | [5] sets counter limit for (some) warnings, iopt(1) melt_is_fluid default | [T] T => identify melt (liquid) as fluid in MEEMUM/WERAMI output, lopt(6) 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 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 optimization_max_it default | [40] maximum number of sucessive LP optimizations optimization_precision default | [1d-3 energy unit] absolute precision for succesive LP optimization option_list_files default | [F] T => echo run-time options to my_project_PROGRAM_options.txt, lopt(12) output_iteration_details default | [F] T => output intermediate adaptive optimization information, lopt(34) output_iteration_G default | [F] T => print iteration G to monitor convergence during optimization, lopt(33) 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 phi_d default | [0.36] 0-1, disaggregation porosity used by fluid_shear_modulus 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] T => echo static pseudocompound compositions to my_project_pseudocompound_list.txt P_stop default | [0.] equilibration pressure (bar) cut off PT_freeze default | [F] T => calculate mineralogy at P_stop/T_stop, caloric/elastic properties at P/T 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 refine_endmembers default | [F] T => accept endmember compositions as refinement points, may be reset automatically reject_negative_sites default | [T] T => reject compositions with negative site populations 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] T => allow iterative auto-refinement sample_on_grid default | [T] T => WERAMI (mode 2) samples on the computational grid used by VERTEX scatter-increment default | [1d-3] scatter increment for scatter-points option scatter-points default | [T] T => generate additional compositions scattered about refinement points, lopt(54) seismic_output default | [some] all, some, none seismic_data_file default | [T] T => summarize wavespeed relevant options and data 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 speciation_precision default | [1d-5] precision for non-GFSM fluid speciation 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 | [T] F => 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) structural_formulae default | [T] T => MEEMUM/WERAMI output structural formula for 688 type solution models, lopt(51) subdivision_override default | [off] off, linear, or stretch; overrides subdivision mode specified in solution models timing default | [T] T => output CPU time statistics Tisza_test default | [T] T => 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] T => warn and cease interpolation in WERAMI when immiscible solutions are present, lopt(31) warn_interactive default | [F] T => overrides interactive y/n warnings by setting the y answer, lopt(56) x_nodes default | [20 40] exploratory and auto-refine (grid parameters keyword group), lowest-level x grid resolution y_nodes default | [20 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