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39 #include "gromacs/legacyheaders/names.h"
41 #include "gromacs/legacyheaders/typedefs.h"
43 /* note: these arrays should correspond to enums in include/types/enums.h */
45 const char *epbc_names
[epbcNR
+1] =
47 "xyz", "no", "xy", "screw", NULL
50 const char *ens_names
[ensNR
+1] =
52 "Grid", "Simple", NULL
55 const char *ei_names
[eiNR
+1] =
57 "md", "steep", "cg", "bd", "sd2", "nm", "l-bfgs", "tpi", "tpic", "sd", "md-vv", "md-vv-avek", NULL
60 const char *bool_names
[BOOL_NR
+1] =
65 const char *yesno_names
[BOOL_NR
+1] =
70 const char *ptype_str
[eptNR
+1] = {
71 "Atom", "Nucleus", "Shell", "Bond", "VSite", NULL
74 const char *ecutscheme_names
[ecutsNR
+1] = {
75 "Verlet", "Group", NULL
78 const char *eel_names
[eelNR
+1] = {
79 "Cut-off", "Reaction-Field", "Generalized-Reaction-Field",
80 "PME", "Ewald", "P3M-AD", "Poisson", "Switch", "Shift", "User",
81 "Generalized-Born", "Reaction-Field-nec", "Encad-shift",
82 "PME-User", "PME-Switch", "PME-User-Switch",
83 "Reaction-Field-zero", NULL
86 const char *eewg_names
[eewgNR
+1] = {
90 const char *eljpme_names
[eljpmeNR
+1] = {
91 "Geometric", "Lorentz-Berthelot", NULL
94 const char *evdw_names
[evdwNR
+1] = {
95 "Cut-off", "Switch", "Shift", "User", "Encad-shift",
99 const char *econstr_names
[econtNR
+1] = {
100 "Lincs", "Shake", NULL
103 const char *eintmod_names
[eintmodNR
+1] = {
104 "Potential-shift-Verlet", "Potential-shift", "None", "Potential-switch", "Exact-cutoff", "Force-switch", NULL
107 const char *egrp_nm
[egNR
+1] = {
108 "Coul-SR", "LJ-SR", "Buck-SR", "Coul-LR", "LJ-LR", "Buck-LR",
109 "Coul-14", "LJ-14", NULL
112 const char *etcoupl_names
[etcNR
+1] = {
113 "No", "Berendsen", "Nose-Hoover", "yes", "Andersen", "Andersen-massive", "V-rescale", NULL
114 }; /* yes is alias for berendsen */
116 const char *epcoupl_names
[epcNR
+1] = {
117 "No", "Berendsen", "Parrinello-Rahman", "Isotropic", "MTTK", NULL
118 }; /* isotropic is alias for berendsen */
120 const char *epcoupltype_names
[epctNR
+1] = {
121 "Isotropic", "Semiisotropic", "Anisotropic", "Surface-Tension", NULL
124 const char *erefscaling_names
[erscNR
+1] = {
125 "No", "All", "COM", NULL
128 const char *edisre_names
[edrNR
+1] = {
129 "No", "Simple", "Ensemble", NULL
132 const char *edisreweighting_names
[edrwNR
+1] = {
133 "Conservative", "Equal", NULL
136 const char *enbf_names
[eNBF_NR
+1] = {
137 "", "LJ", "Buckingham", NULL
140 const char *ecomb_names
[eCOMB_NR
+1] = {
141 "", "Geometric", "Arithmetic", "GeomSigEps", NULL
144 const char *gtypes
[egcNR
+1] = {
145 "T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
146 "User1", "User2", "VCM", "Compressed X", "Or. Res. Fit", "QMMM", NULL
149 const char *esimtemp_names
[esimtempNR
+1] = {
150 "geometric", "exponential", "linear", NULL
153 const char *efep_names
[efepNR
+1] = {
154 "no", "yes", "static", "slow-growth", "expanded", NULL
157 const char *efpt_names
[efptNR
+1] = {
158 "fep-lambdas", "mass-lambdas", "coul-lambdas", "vdw-lambdas", "bonded-lambdas", "restraint-lambdas", "temperature-lambdas", NULL
161 const char *efpt_singular_names
[efptNR
+1] = {
162 "fep-lambda", "mass-lambda", "coul-lambda", "vdw-lambda", "bonded-lambda", "restraint-lambda", "temperature-lambda", NULL
165 const char *edHdLPrintEnergy_names
[edHdLPrintEnergyNR
+1] = {
166 "no", "total", "potential", "yes", NULL
169 const char *elamstats_names
[elamstatsNR
+1] = {
170 "no", "metropolis-transition", "barker-transition", "minvar", "wang-landau", "weighted-wang-landau", NULL
173 const char *elmcmove_names
[elmcmoveNR
+1] = {
174 "no", "metropolis", "barker", "gibbs", "metropolized-gibbs", NULL
177 const char *elmceq_names
[elmceqNR
+1] = {
178 "no", "yes", "wl-delta", "number-all-lambda", "number-steps", "number-samples", "count-ratio", NULL
181 const char *separate_dhdl_file_names
[esepdhdlfileNR
+1] = {
185 const char *dhdl_derivatives_names
[edhdlderivativesNR
+1] = {
189 const char *esol_names
[esolNR
+1] = {
190 "No", "SPC", "TIP4p", NULL
193 const char *edispc_names
[edispcNR
+1] = {
194 "No", "EnerPres", "Ener", "AllEnerPres", "AllEner", NULL
197 const char *ecm_names
[ecmNR
+1] = {
198 "Linear", "Angular", "None", NULL
201 const char *eann_names
[eannNR
+1] = {
202 "No", "Single", "Periodic", NULL
205 const char *eis_names
[eisNR
+1] = {
209 const char *egb_names
[egbNR
+1] = {
210 "Still", "HCT", "OBC", NULL
213 const char *esa_names
[esaNR
+1] = {
214 "Ace-approximation", "None", "Still", NULL
217 const char *ewt_names
[ewtNR
+1] = {
218 "9-3", "10-4", "table", "12-6", NULL
221 const char *epull_names
[epullNR
+1] = {
222 "umbrella", "constraint", "constant-force", "flat-bottom", NULL
225 const char *epullg_names
[epullgNR
+1] = {
226 "distance", "direction", "cylinder", "direction-periodic", "direction-relative", NULL
229 const char *erotg_names
[erotgNR
+1] = {
230 "iso", "iso-pf", "pm", "pm-pf", "rm", "rm-pf", "rm2", "rm2-pf", "flex", "flex-t", "flex2", "flex2-t", NULL
233 const char *erotg_fitnames
[erotgFitNR
+1] = {
234 "rmsd", "norm", "potential", NULL
237 const char *eSwapTypes_names
[eSwapTypesNR
+1] = {
238 "no", "X", "Y", "Z", NULL
241 const char *eQMmethod_names
[eQMmethodNR
+1] = {
243 "UHF", "DFT", "B3LYP", "MP2", "CASSCF", "B3LYPLAN",
247 const char *eQMbasis_names
[eQMbasisNR
+1] = {
248 "STO3G", "STO-3G", "3-21G",
249 "3-21G*", "3-21+G*", "6-21G",
250 "6-31G", "6-31G*", "6-31+G*",
254 const char *eQMMMscheme_names
[eQMMMschemeNR
+1] = {
255 "normal", "ONIOM", NULL
258 const char *eMultentOpt_names
[eMultentOptNR
+1] = {
259 "multiple_entries", "no", "use_last", NULL
262 const char *eAdresstype_names
[eAdressNR
+1] = {
263 "off", "constant", "xsplit", "sphere", NULL
266 const char *eAdressICtype_names
[eAdressICNR
+1] = {
267 "off", "thermoforce", NULL
270 const char *eAdressSITEtype_names
[eAdressSITENR
+1] = {
271 "com", "cog", "atom", "atomperatom", NULL
274 const char *gmx_nblist_geometry_names
[GMX_NBLIST_GEOMETRY_NR
+1] = {
275 "Particle-Particle", "Water3-Particle", "Water3-Water3", "Water4-Particle", "Water4-Water4", "CG-CG", NULL
278 const char *gmx_nblist_interaction_names
[GMX_NBLIST_INTERACTION_NR
+1] = {
279 "Standard", "Free_Energy", "Adress", NULL
282 const char *gmx_nbkernel_elec_names
[GMX_NBKERNEL_ELEC_NR
+1] =
284 "None", "Coulomb", "Reaction-Field", "Cubic-Spline-Table", "Generalized-Born", "Ewald", NULL
287 const char *gmx_nbkernel_vdw_names
[GMX_NBKERNEL_VDW_NR
+1] =
289 "None", "Lennard-Jones", "Buckingham", "Cubic-Spline-Table", "LJEwald", NULL