src/gmxlib/names.c

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
  16  * modify it under the terms of the GNU General Public License
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  30  * For more info, check our website at http://www.gromacs.org
  31  *
  32  * And Hey:
  33  * GROningen Mixture of Alchemy and Childrens' Stories
  34  */
  35 #ifdef HAVE_CONFIG_H
  36 #include <config.h>
  37 #endif
  38
  39 #include "typedefs.h"
  40 #include "names.h"
  41
  42 /* note: these arrays should correspond to enums in include/types/enums.h */
  43
  44 const char *epbc_names[epbcNR+1]=
  45 {
  46   "xyz", "no", "xy", "screw", NULL
  47 };
  48
  49 const char *ens_names[ensNR+1]=
  50 {
  51   "Grid","Simple", NULL
  52 };
  53
  54 const char *ei_names[eiNR+1]=
  55 {
  56   "md", "steep", "cg", "bd", "sd", "nm", "l-bfgs", "tpi", "tpic", "sd1", "md-vv", "md-vv-avek",NULL
  57 };
  58
  59 const char *bool_names[BOOL_NR+1]=
  60 {
  61   "FALSE","TRUE", NULL
  62 };
  63
  64 const char *yesno_names[BOOL_NR+1]=
  65 {
  66   "no","yes", NULL
  67 };
  68
  69 const char *ptype_str[eptNR+1] = {
  70   "Atom", "Nucleus", "Shell", "Bond", "VSite", NULL
  71 };
  72
  73 const char *ecutscheme_names[ecutsNR+1] = {
  74   "Group", "Verlet", NULL
  75 };
  76
  77 const char *eel_names[eelNR+1] = {
  78   "Cut-off", "Reaction-Field", "Generalized-Reaction-Field",
  79   "PME", "Ewald", "P3M-AD", "Poisson", "Switch", "Shift", "User",
  80   "Generalized-Born", "Reaction-Field-nec", "Encad-shift",
  81   "PME-User", "PME-Switch", "PME-User-Switch",
  82   "Reaction-Field-zero", NULL
  83 };
  84
  85 const char *eewg_names[eewgNR+1] = {
  86   "3d", "3dc", NULL
  87 };
  88
  89 const char *evdw_names[evdwNR+1] = {
  90   "Cut-off", "Switch", "Shift", "User", "Encad-shift", NULL
  91 };
  92
  93 const char *econstr_names[econtNR+1] = {
  94   "Lincs", "Shake", NULL
  95 };
  96
  97 const char *egrp_nm[egNR+1] = {
  98   "Coul-SR","LJ-SR","Buck-SR", "Coul-LR", "LJ-LR", "Buck-LR",
  99   "Coul-14", "LJ-14", NULL
 100 };
 101
 102 const char *etcoupl_names[etcNR+1] = {
 103   "No", "Berendsen", "Nose-Hoover", "yes", "Andersen", "Andersen-massive", "V-rescale", NULL
 104 }; /* yes is alias for berendsen */
 105
 106 const char *epcoupl_names[epcNR+1] = {
 107   "No", "Berendsen", "Parrinello-Rahman", "Isotropic", "MTTK", NULL
 108 }; /* isotropic is alias for berendsen */
 109
 110 const char *epcoupltype_names[epctNR+1] = {
 111   "Isotropic", "Semiisotropic", "Anisotropic", "Surface-Tension", NULL
 112 };
 113
 114 const char *erefscaling_names[erscNR+1] = {
 115   "No", "All", "COM", NULL
 116 };
 117
 118 const char *edisre_names[edrNR+1] = {
 119   "No", "Simple", "Ensemble", NULL
 120 };
 121
 122 const char *edisreweighting_names[edrwNR+1] = {
 123   "Conservative", "Equal", NULL
 124 };
 125
 126 const char *enbf_names[eNBF_NR+1] = {
 127   "", "LJ", "Buckingham", NULL
 128 };
 129
 130 const char *ecomb_names[eCOMB_NR+1] = {
 131   "", "Geometric", "Arithmetic", "GeomSigEps", NULL
 132 };
 133
 134 const char *gtypes[egcNR+1] = {
 135   "T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
 136   "User1", "User2", "VCM", "XTC", "Or. Res. Fit", "QMMM", NULL
 137 };
 138
 139 const char *esimtemp_names[esimtempNR+1] = {
 140   "geometric", "exponential", "linear", NULL
 141 };
 142
 143 const char *efep_names[efepNR+1] = {
 144   "no", "yes", "static", "slow-growth", "expanded", NULL
 145 };
 146
 147 const char *efpt_names[efptNR+1] = {
 148   "fep-lambdas", "mass-lambdas", "coul-lambdas", "vdw-lambdas", "bonded-lambdas", "restraint-lambdas", "temperature-lambdas", NULL
 149 };
 150
 151 const char *elamstats_names[elamstatsNR+1] = {
 152   "no", "metropolis-transition", "barker-transition", "minvar", "wang-landau", "weighted-wang-landau", NULL
 153 };
 154
 155 const char *elmcmove_names[elmcmoveNR+1] = {
 156   "no", "metropolis", "barker", "gibbs", "metropolized-gibbs", NULL
 157 };
 158
 159 const char *elmceq_names[elmceqNR+1] = {
 160   "no", "yes", "wl-delta", "number-all-lambda", "number-steps", "number-samples", "count-ratio", NULL
 161 };
 162
 163 const char *separate_dhdl_file_names[esepdhdlfileNR+1] = {
 164   "yes", "no", NULL
 165 };
 166
 167 const char *dhdl_derivatives_names[edhdlderivativesNR+1] = {
 168   "yes", "no", NULL
 169 };
 170
 171 const char *esol_names[esolNR+1] = {
 172   "No", "SPC", "TIP4p", NULL
 173 };
 174
 175 const char *enlist_names[enlistNR+1] = {
 176   "Atom-Atom", "SPC-Atom", "SPC-SPC", "TIP4p-Atom", "TIP4p-TIP4p", "CG-CG", NULL
 177 };
 178
 179 const char *edispc_names[edispcNR+1] = {
 180   "No", "EnerPres", "Ener", "AllEnerPres", "AllEner", NULL
 181 };
 182
 183 const char *ecm_names[ecmNR+1] = {
 184   "Linear", "Angular", "None", NULL
 185 };
 186
 187 const char *eann_names[eannNR+1] = {
 188   "No", "Single", "Periodic", NULL
 189 };
 190
 191 const char *eis_names[eisNR+1] = {
 192         "No", "GBSA", NULL
 193 };
 194
 195 const char *egb_names[egbNR+1] = {
 196   "Still", "HCT", "OBC", NULL
 197 };
 198
 199 const char *esa_names[esaNR+1] = {
 200   "Ace-approximation", "None", "Still", NULL
 201 };
 202
 203 const char *ewt_names[ewtNR+1] = {
 204   "9-3", "10-4", "table", "12-6", NULL
 205 };
 206
 207 const char *epull_names[epullNR+1] = {
 208   "no", "umbrella", "constraint", "constant-force", NULL
 209 };
 210
 211 const char *epullg_names[epullgNR+1] = {
 212   "distance", "direction", "cylinder", "position", "direction-periodic", NULL
 213 };
 214
 215 const char *erotg_names[erotgNR+1] = {
 216   "iso", "iso-pf", "pm", "pm-pf", "rm", "rm-pf", "rm2", "rm2-pf", "flex", "flex-t", "flex2", "flex2-t", NULL
 217 };
 218
 219 const char *erotg_fitnames[erotgFitNR+1] = {
 220   "rmsd", "norm", "potential", NULL
 221 };
 222
 223 const char *eQMmethod_names[eQMmethodNR+1] = {
 224   "AM1", "PM3", "RHF",
 225   "UHF", "DFT", "B3LYP", "MP2", "CASSCF","B3LYPLAN",
 226   "DIRECT", NULL
 227 };
 228
 229 const char *eQMbasis_names[eQMbasisNR+1] = {
 230   "STO3G", "STO-3G", "3-21G",
 231   "3-21G*", "3-21+G*", "6-21G",
 232   "6-31G", "6-31G*", "6-31+G*",
 233   "6-311G", NULL
 234 };
 235
 236 const char *eQMMMscheme_names[eQMMMschemeNR+1] = {
 237   "normal", "ONIOM", NULL
 238 };
 239
 240 const char *eMultentOpt_names[eMultentOptNR+1] = {
 241   "multiple_entries", "no", "use_last", NULL
 242 };
 243
 244 const char *eAdresstype_names[eAdressNR+1] = {
 245   "off","constant", "xsplit", "sphere", NULL
 246 };
 247
 248 const char *eAdressICtype_names[eAdressICNR+1] = {
 249   "off", "thermoforce", NULL
 250 };
 251
 252 const char *eAdressSITEtype_names[eAdressSITENR+1] = {
 253   "com","cog", "atom", "atomperatom", NULL
 254 };
 255