/usr/include/gromacs/mvdata.h is in gromacs-dev 4.6.5-1build1.
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* This file is part of the GROMACS molecular simulation package.
*
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#ifndef _mvdata_h
#define _mvdata_h
#include "visibility.h"
#include "typedefs.h"
#include "types/commrec.h"
#ifdef __cplusplus
extern "C" {
#endif
GMX_LIBGMX_EXPORT
void bcast_ir_mtop(const t_commrec *cr,
t_inputrec *inputrec, gmx_mtop_t *mtop);
/* Broadcasts ir and mtop from the master to all nodes in cr->mpi_comm_mygroup.
*/
GMX_LIBGMX_EXPORT
void bcast_state_setup(const t_commrec *cr, t_state *state);
/* Broadcasts the state sizes and flags
* from the master to all nodes in cr->mpi_comm_mygroup.
* The arrays are not broadcasted.
*/
GMX_LIBGMX_EXPORT
void bcast_state(const t_commrec *cr, t_state *state, gmx_bool bAlloc);
/* Broadcasts state from the master to all nodes in cr->mpi_comm_mygroup.
* The arrays in state are allocated when bAlloc is TRUE.
*/
/* Routines for particle decomposition only in mvxvf.c */
void move_cgcm(FILE *log, const t_commrec *cr, rvec cg_cm[]);
GMX_LIBMD_EXPORT
void move_rvecs(const t_commrec *cr, gmx_bool bForward, gmx_bool bSum,
int left, int right, rvec vecs[], rvec buf[],
int shift, t_nrnb *nrnb);
void move_reals(const t_commrec *cr, gmx_bool bForward, gmx_bool bSum,
int left, int right, real reals[], real buf[],
int shift, t_nrnb *nrnb);
void move_x(FILE *log, const t_commrec *cr,
int left, int right, rvec x[], t_nrnb *nrnb);
void move_rborn(FILE *log, const t_commrec *cr,
int left, int right, real rborn[], t_nrnb *nrnb);
void move_f(FILE *log, const t_commrec *cr,
int left, int right, rvec f[], rvec fadd[],
t_nrnb *nrnb);
void move_gpol(FILE *log, const t_commrec *cr,
int left, int right, real gpol[], real gpol_add[],
t_nrnb *nrnb);
#ifdef __cplusplus
}
#endif
#endif /* _mvdata_h */
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