4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
11 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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34 * GROningen Mixture of Alchemy and Childrens' Stories
39 /* note: these arrays should correspond to enums in include/types/enums.h */
41 const char *eblock_names
[ebNR
+1]=
43 "CGS","MOLS","SBLOCKS",NULL
46 const char *epbc_names
[epbcNR
+1]=
48 "xyz", "no", "full", NULL
51 const char *ens_names
[ensNR
+1]=
56 const char *ei_names
[eiNR
+1]=
58 "md", "steep", "cg", "bd", "sd", "nm", "l-bfgs", 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", "Dummy", NULL
75 const char *eel_names
[eelNR
+1] = {
76 "Cut-off", "Reaction-Field", "Generalized-Reaction-Field",
77 "PME", "Ewald", "PPPM", "Poisson", "Switch", "Shift", "User",
78 "Generalized-Born", NULL
81 const char *eewg_names
[eewgNR
+1] = {
85 const char *evdw_names
[evdwNR
+1] = {
86 "Cut-off", "Switch", "Shift", "User", NULL
89 const char *eshake_names
[estNR
+1] = {
90 "Lincs", "Shake", NULL
93 const char *egrp_nm
[egNR
+1] = {
94 "Coul-SR","LJ","Buck", "Coul-LR", "LJ-LR", "Coul-14", "LJ-14", NULL
97 const char *etcoupl_names
[etcNR
+1] = {
98 "No", "Berendsen", "Nose-Hoover", "yes", "Andersen", "Andersen-interval", NULL
99 }; /* yes is alias for berendsen */
101 const char *epcoupl_names
[epcNR
+1] = {
102 "No", "Berendsen", "Parrinello-Rahman", "Isotropic", NULL
103 }; /* isotropic is alias for berendsen */
105 const char *epcoupltype_names
[epctNR
+1] = {
106 "Isotropic", "Semiisotropic", "Anisotropic", "Surface-Tension", NULL
109 const char *edisre_names
[edrNR
+1] = {
110 "No", "Simple", "Ensemble", NULL
113 const char *edisreweighting_names
[edrwNR
+1] = {
114 "Conservative", "Equal", NULL
117 const char *enbf_names
[eNBF_NR
+1] = {
118 "", "LJ", "Buckingham", NULL
121 const char *ecomb_names
[eCOMB_NR
+1] = {
122 "", "Arithmetic", "Geometric", "ArithSigEps", NULL
125 const char *gtypes
[egcNR
+1] = {
126 "T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
127 "User1", "User2", "VCM", "XTC", "Or. Res. Fit", NULL
130 const char *efep_names
[efepNR
+1] = {
134 const char *esolv_names
[esolNR
+1] = {
135 "General", "MNO Solvent", "Water", "Water-Water", NULL
138 const char *edispc_names
[edispcNR
+1] = {
139 "No", "EnerPres", "Ener", "AllEnerPres", "AllEner", NULL
142 const char *ecm_names
[ecmNR
+1] = {
143 "Linear", "Angular", "None", NULL
146 const char *eann_names
[eannNR
+1] = {
147 "No", "Single", "Periodic", NULL
150 const char *egb_names
[egbNR
+1] = {
151 "Still", "Karplus", NULL
154 const char *eis_names
[eisNR
+1] = {