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44 /* note: these arrays should correspond to enums in include/types/enums.h */
46 const char *epbc_names[epbcNR+1] =
48 "xyz", "no", "xy", "screw", NULL
51 const char *ens_names[ensNR+1] =
53 "Grid", "Simple", NULL
56 const char *ei_names[eiNR+1] =
58 "md", "steep", "cg", "bd", "sd2", "nm", "l-bfgs", "tpi", "tpic", "sd", "md-vv", "md-vv-avek", NULL
61 const char *bool_names[BOOL_NR+1] =
66 const char *yesno_names[BOOL_NR+1] =
71 const char *ptype_str[eptNR+1] = {
72 "Atom", "Nucleus", "Shell", "Bond", "VSite", NULL
75 const char *ecutscheme_names[ecutsNR+1] = {
76 "Verlet", "Group", NULL
79 const char *eel_names[eelNR+1] = {
80 "Cut-off", "Reaction-Field", "Generalized-Reaction-Field",
81 "PME", "Ewald", "P3M-AD", "Poisson", "Switch", "Shift", "User",
82 "Generalized-Born", "Reaction-Field-nec", "Encad-shift",
83 "PME-User", "PME-Switch", "PME-User-Switch",
84 "Reaction-Field-zero", NULL
87 const char *eewg_names[eewgNR+1] = {
91 const char *eljpme_names[eljpmeNR+1] = {
92 "Geometric", "Lorentz-Berthelot", NULL
95 const char *evdw_names[evdwNR+1] = {
96 "Cut-off", "Switch", "Shift", "User", "Encad-shift",
100 const char *econstr_names[econtNR+1] = {
101 "Lincs", "Shake", NULL
104 const char *eintmod_names[eintmodNR+1] = {
105 "Potential-shift-Verlet", "Potential-shift", "None", "Potential-switch", "Exact-cutoff", "Force-switch", NULL
108 const char *egrp_nm[egNR+1] = {
109 "Coul-SR", "LJ-SR", "Buck-SR", "Coul-LR", "LJ-LR", "Buck-LR",
110 "Coul-14", "LJ-14", NULL
113 const char *etcoupl_names[etcNR+1] = {
114 "No", "Berendsen", "Nose-Hoover", "yes", "Andersen", "Andersen-massive", "V-rescale", NULL
115 }; /* yes is alias for berendsen */
117 const char *epcoupl_names[epcNR+1] = {
118 "No", "Berendsen", "Parrinello-Rahman", "Isotropic", "MTTK", NULL
119 }; /* isotropic is alias for berendsen */
121 const char *epcoupltype_names[epctNR+1] = {
122 "Isotropic", "Semiisotropic", "Anisotropic", "Surface-Tension", NULL
125 const char *erefscaling_names[erscNR+1] = {
126 "No", "All", "COM", NULL
129 const char *edisre_names[edrNR+1] = {
130 "No", "Simple", "Ensemble", NULL
133 const char *edisreweighting_names[edrwNR+1] = {
134 "Conservative", "Equal", NULL
137 const char *enbf_names[eNBF_NR+1] = {
138 "", "LJ", "Buckingham", NULL
141 const char *ecomb_names[eCOMB_NR+1] = {
142 "", "Geometric", "Arithmetic", "GeomSigEps", NULL
145 const char *gtypes[egcNR+1] = {
146 "T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
147 "User1", "User2", "VCM", "Compressed X", "Or. Res. Fit", "QMMM", NULL
150 const char *esimtemp_names[esimtempNR+1] = {
151 "geometric", "exponential", "linear", NULL
154 const char *efep_names[efepNR+1] = {
155 "no", "yes", "static", "slow-growth", "expanded", NULL
158 const char *efpt_names[efptNR+1] = {
159 "fep-lambdas", "mass-lambdas", "coul-lambdas", "vdw-lambdas", "bonded-lambdas", "restraint-lambdas", "temperature-lambdas", NULL
162 const char *efpt_singular_names[efptNR+1] = {
163 "fep-lambda", "mass-lambda", "coul-lambda", "vdw-lambda", "bonded-lambda", "restraint-lambda", "temperature-lambda", NULL
166 const char *edHdLPrintEnergy_names[edHdLPrintEnergyNR+1] = {
167 "no", "total", "potential", "yes", NULL
170 const char *elamstats_names[elamstatsNR+1] = {
171 "no", "metropolis-transition", "barker-transition", "minvar", "wang-landau", "weighted-wang-landau", NULL
174 const char *elmcmove_names[elmcmoveNR+1] = {
175 "no", "metropolis", "barker", "gibbs", "metropolized-gibbs", NULL
178 const char *elmceq_names[elmceqNR+1] = {
179 "no", "yes", "wl-delta", "number-all-lambda", "number-steps", "number-samples", "count-ratio", NULL
182 const char *separate_dhdl_file_names[esepdhdlfileNR+1] = {
186 const char *dhdl_derivatives_names[edhdlderivativesNR+1] = {
190 const char *esol_names[esolNR+1] = {
191 "No", "SPC", "TIP4p", NULL
194 const char *edispc_names[edispcNR+1] = {
195 "No", "EnerPres", "Ener", "AllEnerPres", "AllEner", NULL
198 const char *ecm_names[ecmNR+1] = {
199 "Linear", "Angular", "None", NULL
202 const char *eann_names[eannNR+1] = {
203 "No", "Single", "Periodic", NULL
206 const char *eis_names[eisNR+1] = {
210 const char *egb_names[egbNR+1] = {
211 "Still", "HCT", "OBC", NULL
214 const char *esa_names[esaNR+1] = {
215 "Ace-approximation", "None", "Still", NULL
218 const char *ewt_names[ewtNR+1] = {
219 "9-3", "10-4", "table", "12-6", NULL
222 const char *epull_names[epullNR+1] = {
223 "no", "umbrella", "constraint", "constant-force", NULL
226 const char *epullg_names[epullgNR+1] = {
227 "distance", "direction", "cylinder", "direction-periodic", NULL
230 const char *erotg_names[erotgNR+1] = {
231 "iso", "iso-pf", "pm", "pm-pf", "rm", "rm-pf", "rm2", "rm2-pf", "flex", "flex-t", "flex2", "flex2-t", NULL
234 const char *erotg_fitnames[erotgFitNR+1] = {
235 "rmsd", "norm", "potential", NULL
238 const char *eSwapTypes_names[eSwapTypesNR+1] = {
239 "no", "X", "Y", "Z", NULL
242 const char *eQMmethod_names[eQMmethodNR+1] = {
244 "UHF", "DFT", "B3LYP", "MP2", "CASSCF", "B3LYPLAN",
248 const char *eQMbasis_names[eQMbasisNR+1] = {
249 "STO3G", "STO-3G", "3-21G",
250 "3-21G*", "3-21+G*", "6-21G",
251 "6-31G", "6-31G*", "6-31+G*",
255 const char *eQMMMscheme_names[eQMMMschemeNR+1] = {
256 "normal", "ONIOM", NULL
259 const char *eMultentOpt_names[eMultentOptNR+1] = {
260 "multiple_entries", "no", "use_last", NULL
263 const char *eAdresstype_names[eAdressNR+1] = {
264 "off", "constant", "xsplit", "sphere", NULL
267 const char *eAdressICtype_names[eAdressICNR+1] = {
268 "off", "thermoforce", NULL
271 const char *eAdressSITEtype_names[eAdressSITENR+1] = {
272 "com", "cog", "atom", "atomperatom", NULL
275 const char *gmx_nblist_geometry_names[GMX_NBLIST_GEOMETRY_NR+1] = {
276 "Particle-Particle", "Water3-Particle", "Water3-Water3", "Water4-Particle", "Water4-Water4", "CG-CG", NULL
279 const char *gmx_nbkernel_elec_names[GMX_NBKERNEL_ELEC_NR+1] =
281 "None", "Coulomb", "Reaction-Field", "Cubic-Spline-Table", "Generalized-Born", "Ewald", NULL
284 const char *gmx_nbkernel_vdw_names[GMX_NBKERNEL_VDW_NR+1] =
286 "None", "Lennard-Jones", "Buckingham", "Cubic-Spline-Table", "LJEwald", NULL