/*
- *
+ *
* 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.
* 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
*/
#endif
void bcast_ir_mtop(const t_commrec *cr,
- t_inputrec *inputrec,gmx_mtop_t *mtop);
+ 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);
+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);
+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_cgcm(FILE *log, const t_commrec *cr, rvec cg_cm[]);
-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_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_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_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_f(FILE *log,const t_commrec *cr,
- int left,int right,rvec f[],rvec fadd[],
- t_nrnb *nrnb);
+void move_x(FILE *log, const t_commrec *cr,
+ int left, int right, rvec x[], t_nrnb *nrnb);
-void move_gpol(FILE *log,const t_commrec *cr,
- int left,int right,real gpol[],real gpol_add[],
- 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 */
+#endif /* _mvdata_h */