* the research papers on the package. Check out http://www.gromacs.org.
*/
-#include "ns.h"
-#include "genborn.h"
-#include "qmmmrec.h"
-#include "../../topology/idef.h"
-#include "nb_verlet.h"
-#include "interaction_const.h"
-#include "hw_info.h"
+#ifndef GMX_LEGACYHEADERS_TYPES_FORCEREC_H
+#define GMX_LEGACYHEADERS_TYPES_FORCEREC_H
+
+#include "gromacs/legacyheaders/types/enums.h"
+#include "gromacs/legacyheaders/types/genborn.h"
+#include "gromacs/legacyheaders/types/hw_info.h"
+#include "gromacs/legacyheaders/types/interaction_const.h"
+#include "gromacs/legacyheaders/types/ns.h"
+#include "gromacs/legacyheaders/types/qmmmrec.h"
+#include "gromacs/topology/idef.h"
#ifdef __cplusplus
extern "C" {
/* Abstract type for PME that is defined only in the routine that use them. */
typedef struct gmx_pme *gmx_pme_t;
-
-
+struct nonbonded_verlet_t;
/* Structure describing the data in a single table */
typedef struct
real sc_r_power;
real sc_sigma6_def;
real sc_sigma6_min;
- gmx_bool bSepDVDL;
/* NS Stuff */
int eeltype;
rvec *shift_vec;
/* The neighborlists including tables */
- int nnblists;
- int *gid2nblists;
- t_nblists *nblists;
+ int nnblists;
+ int *gid2nblists;
+ t_nblists *nblists;
- int cutoff_scheme; /* group- or Verlet-style cutoff */
- gmx_bool bNonbonded; /* true if nonbonded calculations are *not* turned off */
- nonbonded_verlet_t *nbv;
+ int cutoff_scheme; /* group- or Verlet-style cutoff */
+ gmx_bool bNonbonded; /* true if nonbonded calculations are *not* turned off */
+ struct nonbonded_verlet_t *nbv;
/* The wall tables (if used) */
int nwall;
#ifdef __cplusplus
}
#endif
+#endif