*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
-#include "typedefs.h"
-#include "names.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/names.h"
/* note: these arrays should correspond to enums in include/types/enums.h */
const char *ei_names[eiNR+1] =
{
- "md", "steep", "cg", "bd", "sd", "nm", "l-bfgs", "tpi", "tpic", "sd1", "md-vv", "md-vv-avek", NULL
+ "md", "steep", "cg", "bd", "sd2", "nm", "l-bfgs", "tpi", "tpic", "sd", "md-vv", "md-vv-avek", NULL
};
const char *bool_names[BOOL_NR+1] =
};
const char *eintmod_names[eintmodNR+1] = {
- "Potential-shift-Verlet", "Potential-shift", "None", "Potential-switch", "Exact-cutoff", NULL
+ "Potential-shift-Verlet", "Potential-shift", "None", "Potential-switch", "Exact-cutoff", "Force-switch", NULL
};
const char *egrp_nm[egNR+1] = {
const char *gtypes[egcNR+1] = {
"T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
- "User1", "User2", "VCM", "XTC", "Or. Res. Fit", "QMMM", NULL
+ "User1", "User2", "VCM", "Compressed X", "Or. Res. Fit", "QMMM", NULL
};
const char *esimtemp_names[esimtempNR+1] = {
"fep-lambda", "mass-lambda", "coul-lambda", "vdw-lambda", "bonded-lambda", "restraint-lambda", "temperature-lambda", NULL
};
+const char *edHdLPrintEnergy_names[edHdLPrintEnergyNR+1] = {
+ "no", "total", "potential", "yes", NULL
+};
+
const char *elamstats_names[elamstatsNR+1] = {
"no", "metropolis-transition", "barker-transition", "minvar", "wang-landau", "weighted-wang-landau", NULL
};
"rmsd", "norm", "potential", NULL
};
+const char *eSwapTypes_names[eSwapTypesNR+1] = {
+ "no", "X", "Y", "Z", NULL
+};
+
const char *eQMmethod_names[eQMmethodNR+1] = {
"AM1", "PM3", "RHF",
"UHF", "DFT", "B3LYP", "MP2", "CASSCF", "B3LYPLAN",
const char *gmx_nbkernel_vdw_names[GMX_NBKERNEL_VDW_NR+1] =
{
- "None", "Lennard-Jones", "Buckingham", "Cubic-Spline-Table", NULL
+ "None", "Lennard-Jones", "Buckingham", "Cubic-Spline-Table", "LJEwald", NULL
};