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/*
*
* This source code is part of
*
* G R O M A C S
*
* GROningen MAchine for Chemical Simulations
*
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team,
* check out http://www.gromacs.org for more information.
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
*
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
*
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
* Gromacs Runs On Most of All Computer Systems
*/
#ifndef _mvdata_h
#define _mvdata_h
#include "typedefs.h"
#ifdef __cplusplus
extern "C" {
#endif
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.
*/
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.
*/
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[]);
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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