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45 /* note: these arrays should correspond to enums in include/types/enums.h */
47 const char *epbc_names[epbcNR+1]=
49 "xyz", "no", "xy", "screw", NULL
52 const char *ens_names[ensNR+1]=
57 const char *ei_names[eiNR+1]=
59 "md", "steep", "cg", "bd", "sd", "nm", "l-bfgs", "tpi", "tpic", "sd1", "md-vv", "md-vv-avek",NULL
62 const char *bool_names[BOOL_NR+1]=
67 const char *yesno_names[BOOL_NR+1]=
72 const char *ptype_str[eptNR+1] = {
73 "Atom", "Nucleus", "Shell", "Bond", "VSite", NULL
76 const char *ecutscheme_names[ecutsNR+1] = {
77 "Group", "Verlet", NULL
80 const char *eel_names[eelNR+1] = {
81 "Cut-off", "Reaction-Field", "Generalized-Reaction-Field",
82 "PME", "Ewald", "P3M-AD", "Poisson", "Switch", "Shift", "User",
83 "Generalized-Born", "Reaction-Field-nec", "Encad-shift",
84 "PME-User", "PME-Switch", "PME-User-Switch",
85 "Reaction-Field-zero", NULL
88 const char *eewg_names[eewgNR+1] = {
92 const char *evdw_names[evdwNR+1] = {
93 "Cut-off", "Switch", "Shift", "User", "Encad-shift", NULL
96 const char *econstr_names[econtNR+1] = {
97 "Lincs", "Shake", NULL
100 const char *eintmod_names[eintmodNR+1] = {
101 "Potential-shift-Verlet","Potential-shift","None","Potential-switch","Exact-cutoff", NULL
104 const char *egrp_nm[egNR+1] = {
105 "Coul-SR","LJ-SR","Buck-SR", "Coul-LR", "LJ-LR", "Buck-LR",
106 "Coul-14", "LJ-14", NULL
109 const char *etcoupl_names[etcNR+1] = {
110 "No", "Berendsen", "Nose-Hoover", "yes", "Andersen", "Andersen-massive", "V-rescale", NULL
111 }; /* yes is alias for berendsen */
113 const char *epcoupl_names[epcNR+1] = {
114 "No", "Berendsen", "Parrinello-Rahman", "Isotropic", "MTTK", NULL
115 }; /* isotropic is alias for berendsen */
117 const char *epcoupltype_names[epctNR+1] = {
118 "Isotropic", "Semiisotropic", "Anisotropic", "Surface-Tension", NULL
121 const char *erefscaling_names[erscNR+1] = {
122 "No", "All", "COM", NULL
125 const char *edisre_names[edrNR+1] = {
126 "No", "Simple", "Ensemble", NULL
129 const char *edisreweighting_names[edrwNR+1] = {
130 "Conservative", "Equal", NULL
133 const char *enbf_names[eNBF_NR+1] = {
134 "", "LJ", "Buckingham", NULL
137 const char *ecomb_names[eCOMB_NR+1] = {
138 "", "Geometric", "Arithmetic", "GeomSigEps", NULL
141 const char *gtypes[egcNR+1] = {
142 "T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
143 "User1", "User2", "VCM", "XTC", "Or. Res. Fit", "QMMM", NULL
146 const char *esimtemp_names[esimtempNR+1] = {
147 "geometric", "exponential", "linear", NULL
150 const char *efep_names[efepNR+1] = {
151 "no", "yes", "static", "slow-growth", "expanded", NULL
154 const char *efpt_names[efptNR+1] = {
155 "fep-lambdas", "mass-lambdas", "coul-lambdas", "vdw-lambdas", "bonded-lambdas", "restraint-lambdas", "temperature-lambdas", NULL
158 const char *elamstats_names[elamstatsNR+1] = {
159 "no", "metropolis-transition", "barker-transition", "minvar", "wang-landau", "weighted-wang-landau", NULL
162 const char *elmcmove_names[elmcmoveNR+1] = {
163 "no", "metropolis", "barker", "gibbs", "metropolized-gibbs", NULL
166 const char *elmceq_names[elmceqNR+1] = {
167 "no", "yes", "wl-delta", "number-all-lambda", "number-steps", "number-samples", "count-ratio", NULL
170 const char *separate_dhdl_file_names[esepdhdlfileNR+1] = {
174 const char *dhdl_derivatives_names[edhdlderivativesNR+1] = {
178 const char *esol_names[esolNR+1] = {
179 "No", "SPC", "TIP4p", NULL
182 const char *edispc_names[edispcNR+1] = {
183 "No", "EnerPres", "Ener", "AllEnerPres", "AllEner", NULL
186 const char *ecm_names[ecmNR+1] = {
187 "Linear", "Angular", "None", NULL
190 const char *eann_names[eannNR+1] = {
191 "No", "Single", "Periodic", NULL
194 const char *eis_names[eisNR+1] = {
198 const char *egb_names[egbNR+1] = {
199 "Still", "HCT", "OBC", NULL
202 const char *esa_names[esaNR+1] = {
203 "Ace-approximation", "None", "Still", NULL
206 const char *ewt_names[ewtNR+1] = {
207 "9-3", "10-4", "table", "12-6", NULL
210 const char *epull_names[epullNR+1] = {
211 "no", "umbrella", "constraint", "constant-force", NULL
214 const char *epullg_names[epullgNR+1] = {
215 "distance", "direction", "cylinder", "position", "direction-periodic", NULL
218 const char *erotg_names[erotgNR+1] = {
219 "iso", "iso-pf", "pm", "pm-pf", "rm", "rm-pf", "rm2", "rm2-pf", "flex", "flex-t", "flex2", "flex2-t", NULL
222 const char *erotg_fitnames[erotgFitNR+1] = {
223 "rmsd", "norm", "potential", NULL
226 const char *eQMmethod_names[eQMmethodNR+1] = {
228 "UHF", "DFT", "B3LYP", "MP2", "CASSCF","B3LYPLAN",
232 const char *eQMbasis_names[eQMbasisNR+1] = {
233 "STO3G", "STO-3G", "3-21G",
234 "3-21G*", "3-21+G*", "6-21G",
235 "6-31G", "6-31G*", "6-31+G*",
239 const char *eQMMMscheme_names[eQMMMschemeNR+1] = {
240 "normal", "ONIOM", NULL
243 const char *eMultentOpt_names[eMultentOptNR+1] = {
244 "multiple_entries", "no", "use_last", NULL
247 const char *eAdresstype_names[eAdressNR+1] = {
248 "off","constant", "xsplit", "sphere", NULL
251 const char *eAdressICtype_names[eAdressICNR+1] = {
252 "off", "thermoforce", NULL
255 const char *eAdressSITEtype_names[eAdressSITENR+1] = {
256 "com","cog", "atom", "atomperatom", NULL
259 const char *gmx_nblist_geometry_names[GMX_NBLIST_GEOMETRY_NR+1] = {
260 "Particle-Particle", "Water3-Particle", "Water3-Water3", "Water4-Particle", "Water4-Water4", "CG-CG", NULL
263 const char *gmx_nbkernel_elec_names[GMX_NBKERNEL_ELEC_NR+1] =
265 "None", "Coulomb", "Reaction-Field", "Cubic-Spline-Table", "Generalized-Born", "Ewald", NULL
268 const char *gmx_nbkernel_vdw_names[GMX_NBKERNEL_VDW_NR+1] =
270 "None", "Lennard-Jones", "Buckingham", "Cubic-Spline-Table", NULL