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names.c

added "aim" as an lmc_move option - Christopher Mirabzadeh, 11/02/2015 11:12 PM

 
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/*
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 * This file is part of the GROMACS molecular simulation package.
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 *
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 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
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 * Copyright (c) 2001-2004, The GROMACS development team.
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 * Copyright (c) 2013,2014, by the GROMACS development team, led by
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 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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 * and including many others, as listed in the AUTHORS file in the
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 * top-level source directory and at http://www.gromacs.org.
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 *
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 * GROMACS is free software; you can redistribute it and/or
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 * modify it under the terms of the GNU Lesser General Public License
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 * as published by the Free Software Foundation; either version 2.1
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 * of the License, or (at your option) any later version.
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 *
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 * GROMACS is distributed in the hope that it will be useful,
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 * but WITHOUT ANY WARRANTY; without even the implied warranty of
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 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
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 * Lesser General Public License for more details.
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 *
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 * You should have received a copy of the GNU Lesser General Public
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 * License along with GROMACS; if not, see
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 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
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 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
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 *
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 * If you want to redistribute modifications to GROMACS, please
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 * consider that scientific software is very special. Version
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 * control is crucial - bugs must be traceable. We will be happy to
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 * consider code for inclusion in the official distribution, but
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 * derived work must not be called official GROMACS. Details are found
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 * in the README & COPYING files - if they are missing, get the
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 * official version at http://www.gromacs.org.
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 *
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 * To help us fund GROMACS development, we humbly ask that you cite
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 * the research papers on the package. Check out http://www.gromacs.org.
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 */
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#ifdef HAVE_CONFIG_H
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#include <config.h>
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#endif
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#include "typedefs.h"
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#include "names.h"
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/* note: these arrays should correspond to enums in include/types/enums.h */
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const char *epbc_names[epbcNR+1] =
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{
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    "xyz", "no", "xy", "screw", NULL
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};
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const char *ens_names[ensNR+1] =
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{
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    "Grid", "Simple", NULL
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};
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const char *ei_names[eiNR+1] =
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{
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    "md", "steep", "cg", "bd", "sd2", "nm", "l-bfgs", "tpi", "tpic", "sd", "md-vv", "md-vv-avek", NULL
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};
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const char *bool_names[BOOL_NR+1] =
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{
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    "FALSE", "TRUE", NULL
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};
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const char *yesno_names[BOOL_NR+1] =
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{
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    "no", "yes", NULL
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};
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const char *ptype_str[eptNR+1] = {
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    "Atom", "Nucleus", "Shell", "Bond", "VSite", NULL
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};
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const char *ecutscheme_names[ecutsNR+1] = {
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    "Verlet", "Group", NULL
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};
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const char *eel_names[eelNR+1] = {
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    "Cut-off", "Reaction-Field", "Generalized-Reaction-Field",
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    "PME", "Ewald", "P3M-AD", "Poisson", "Switch", "Shift", "User",
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    "Generalized-Born", "Reaction-Field-nec", "Encad-shift",
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    "PME-User", "PME-Switch", "PME-User-Switch",
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    "Reaction-Field-zero", NULL
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};
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const char *eewg_names[eewgNR+1] = {
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    "3d", "3dc", NULL
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};
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const char *eljpme_names[eljpmeNR+1] = {
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    "Geometric", "Lorentz-Berthelot", NULL
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};
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const char *evdw_names[evdwNR+1] = {
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    "Cut-off", "Switch", "Shift", "User", "Encad-shift",
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    "PME", NULL
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};
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const char *econstr_names[econtNR+1] = {
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    "Lincs", "Shake", NULL
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};
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const char *eintmod_names[eintmodNR+1] = {
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    "Potential-shift-Verlet", "Potential-shift", "None", "Potential-switch", "Exact-cutoff", "Force-switch", NULL
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};
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const char *egrp_nm[egNR+1] = {
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    "Coul-SR", "LJ-SR", "Buck-SR", "Coul-LR", "LJ-LR", "Buck-LR",
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    "Coul-14", "LJ-14", NULL
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};
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const char *etcoupl_names[etcNR+1] = {
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    "No", "Berendsen", "Nose-Hoover", "yes", "Andersen", "Andersen-massive", "V-rescale", NULL
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}; /* yes is alias for berendsen */
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const char *epcoupl_names[epcNR+1] = {
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    "No", "Berendsen", "Parrinello-Rahman", "Isotropic", "MTTK", NULL
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}; /* isotropic is alias for berendsen */
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const char *epcoupltype_names[epctNR+1] = {
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    "Isotropic", "Semiisotropic", "Anisotropic", "Surface-Tension", NULL
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};
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const char *erefscaling_names[erscNR+1] = {
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    "No", "All", "COM", NULL
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};
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const char *edisre_names[edrNR+1] = {
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    "No", "Simple", "Ensemble", NULL
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};
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const char *edisreweighting_names[edrwNR+1] = {
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    "Conservative", "Equal", NULL
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};
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const char *enbf_names[eNBF_NR+1] = {
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    "", "LJ", "Buckingham", NULL
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};
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const char *ecomb_names[eCOMB_NR+1] = {
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    "", "Geometric", "Arithmetic", "GeomSigEps", NULL
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};
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const char *gtypes[egcNR+1] = {
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    "T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
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    "User1", "User2", "VCM", "Compressed X", "Or. Res. Fit", "QMMM", NULL
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};
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const char *esimtemp_names[esimtempNR+1] = {
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    "geometric", "exponential", "linear", NULL
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};
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const char *efep_names[efepNR+1] = {
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    "no", "yes", "static", "slow-growth", "expanded", NULL
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};
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const char *efpt_names[efptNR+1] = {
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    "fep-lambdas", "mass-lambdas", "coul-lambdas", "vdw-lambdas", "bonded-lambdas", "restraint-lambdas", "temperature-lambdas", NULL
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};
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const char *efpt_singular_names[efptNR+1] = {
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    "fep-lambda", "mass-lambda", "coul-lambda", "vdw-lambda", "bonded-lambda", "restraint-lambda", "temperature-lambda", NULL
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};
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const char *edHdLPrintEnergy_names[edHdLPrintEnergyNR+1] = {
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    "no", "total", "potential", "yes", NULL
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};
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const char *elamstats_names[elamstatsNR+1] = {
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    "no", "metropolis-transition", "barker-transition", "minvar", "wang-landau", "weighted-wang-landau", NULL
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};
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const char *elmcmove_names[elmcmoveNR+1] = {
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    "no", "metropolis", "barker", "gibbs", "metropolized-gibbs", "aim", NULL
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};
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const char *elmceq_names[elmceqNR+1] = {
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    "no", "yes", "wl-delta", "number-all-lambda", "number-steps", "number-samples", "count-ratio", NULL
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};
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const char *separate_dhdl_file_names[esepdhdlfileNR+1] = {
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    "yes", "no", NULL
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};
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const char *dhdl_derivatives_names[edhdlderivativesNR+1] = {
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    "yes", "no", NULL
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};
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const char *esol_names[esolNR+1] = {
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    "No", "SPC", "TIP4p", NULL
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};
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const char *edispc_names[edispcNR+1] = {
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    "No", "EnerPres", "Ener", "AllEnerPres", "AllEner", NULL
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};
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const char *ecm_names[ecmNR+1] = {
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    "Linear", "Angular", "None", NULL
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};
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const char *eann_names[eannNR+1] = {
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    "No", "Single", "Periodic", NULL
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};
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const char *eis_names[eisNR+1] = {
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    "No", "GBSA", NULL
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};
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const char *egb_names[egbNR+1] = {
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    "Still", "HCT", "OBC", NULL
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};
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const char *esa_names[esaNR+1] = {
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    "Ace-approximation", "None", "Still", NULL
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};
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const char *ewt_names[ewtNR+1] = {
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    "9-3", "10-4", "table", "12-6", NULL
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};
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const char *epull_names[epullNR+1] = {
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    "no", "umbrella", "constraint", "constant-force", NULL
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};
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const char *epullg_names[epullgNR+1] = {
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    "distance", "direction", "cylinder", "direction-periodic", NULL
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};
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const char *erotg_names[erotgNR+1] = {
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    "iso", "iso-pf", "pm", "pm-pf", "rm", "rm-pf", "rm2", "rm2-pf", "flex", "flex-t", "flex2", "flex2-t", NULL
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};
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const char *erotg_fitnames[erotgFitNR+1] = {
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    "rmsd", "norm", "potential", NULL
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};
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const char *eSwapTypes_names[eSwapTypesNR+1] = {
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    "no", "X", "Y", "Z", NULL
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};
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const char *eQMmethod_names[eQMmethodNR+1] = {
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    "AM1", "PM3", "RHF",
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    "UHF", "DFT", "B3LYP", "MP2", "CASSCF", "B3LYPLAN",
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    "DIRECT", NULL
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};
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const char *eQMbasis_names[eQMbasisNR+1] = {
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    "STO3G", "STO-3G", "3-21G",
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    "3-21G*", "3-21+G*", "6-21G",
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    "6-31G", "6-31G*", "6-31+G*",
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    "6-311G", NULL
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};
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const char *eQMMMscheme_names[eQMMMschemeNR+1] = {
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    "normal", "ONIOM", NULL
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};
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const char *eMultentOpt_names[eMultentOptNR+1] = {
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    "multiple_entries", "no", "use_last", NULL
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};
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const char *eAdresstype_names[eAdressNR+1] = {
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    "off", "constant", "xsplit", "sphere", NULL
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};
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const char *eAdressICtype_names[eAdressICNR+1] = {
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    "off", "thermoforce", NULL
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};
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const char *eAdressSITEtype_names[eAdressSITENR+1] = {
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    "com", "cog", "atom", "atomperatom", NULL
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};
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const char *gmx_nblist_geometry_names[GMX_NBLIST_GEOMETRY_NR+1] = {
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    "Particle-Particle", "Water3-Particle", "Water3-Water3", "Water4-Particle", "Water4-Water4", "CG-CG", NULL
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};
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const char *gmx_nbkernel_elec_names[GMX_NBKERNEL_ELEC_NR+1] =
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{
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    "None", "Coulomb", "Reaction-Field", "Cubic-Spline-Table", "Generalized-Born", "Ewald", NULL
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};
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const char *gmx_nbkernel_vdw_names[GMX_NBKERNEL_VDW_NR+1] =
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{
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    "None", "Lennard-Jones", "Buckingham", "Cubic-Spline-Table", "LJEwald", NULL
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};