/*
- *
+ *
* 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
*/
/* These are the good old ring communication routines */
-void gmx_tx(const t_commrec *cr,int dir,void *buf,int bufsize);
- /*
- * Asynchronously sends bufsize bytes from the buffer pointed to by buf
- * over the communication channel, identified by chan. The buffer becomes
- * available after a successful call of gmx_tx_wait(dir).
- */
+void gmx_tx(const t_commrec *cr, int dir, void *buf, int bufsize);
+/*
+ * Asynchronously sends bufsize bytes from the buffer pointed to by buf
+ * over the communication channel, identified by chan. The buffer becomes
+ * available after a successful call of gmx_tx_wait(dir).
+ */
void gmx_tx_wait(const t_commrec *cr, int dir);
- /*
- * Waits until the asynchronous send operation associated with chan has
- * succeeded. This makes the buffer of the send operation available to
- * the sending process.
- */
-
-void gmx_rx(const t_commrec *cr,int dir,void *buf,int bufsize);
- /*
- * Asynchronously receives bufsize bytes in the buffer pointed to by buf
- * from communication channel identified by chan. The buffer becomes
- * available after a successful call of gmx_rx_wait(chan).
- */
+/*
+ * Waits until the asynchronous send operation associated with chan has
+ * succeeded. This makes the buffer of the send operation available to
+ * the sending process.
+ */
+
+void gmx_rx(const t_commrec *cr, int dir, void *buf, int bufsize);
+/*
+ * Asynchronously receives bufsize bytes in the buffer pointed to by buf
+ * from communication channel identified by chan. The buffer becomes
+ * available after a successful call of gmx_rx_wait(chan).
+ */
void gmx_rx_wait(const t_commrec *cr, int dir);
- /*
- * Waits until the asynchronous receive operation, associated with chan,
- * has succeeded. This makes the buffer of the receive operation
- * available to the receiving process.
- */
-
-void gmx_left_right(int nnodes,int nodeid,
- int *left,int *right);
+/*
+ * Waits until the asynchronous receive operation, associated with chan,
+ * has succeeded. This makes the buffer of the receive operation
+ * available to the receiving process.
+ */
+
+void gmx_left_right(int nnodes, int nodeid,
+ int *left, int *right);
/* Get left and right proc id. */
void gmx_tx_rx(const t_commrec *cr,
- int send_dir,void *send_buf,int send_bufsize,
- int recv_dir,void *recv_buf,int recv_bufsize);
+ int send_dir, void *send_buf, int send_bufsize,
+ int recv_dir, void *recv_buf, int recv_bufsize);
/* Communicate simultaneously left and right */
-
+
void gmx_tx_rx_real(const t_commrec *cr,
- int send_dir,real *send_buf,int send_bufsize,
- int recv_dir,real *recv_buf,int recv_bufsize);
+ int send_dir, real *send_buf, int send_bufsize,
+ int recv_dir, real *recv_buf, int recv_bufsize);
/* Communicate simultaneously left and right, reals only */
void gmx_wait(const t_commrec *cr, int dir_send, int dir_recv);
/* Wait for communication to finish */
-void pd_move_f(const t_commrec *cr,rvec f[],t_nrnb *nrnb);
+void pd_move_f(const t_commrec *cr, rvec f[], t_nrnb *nrnb);
/* Sum the forces over the nodes */
int *pd_cgindex(const t_commrec *cr);
int pd_bshift(const t_commrec *cr);
-void pd_cg_range(const t_commrec *cr,int *cg0,int *cg1);
+void pd_cg_range(const t_commrec *cr, int *cg0, int *cg1);
/* Get the range for the home charge groups */
-void pd_at_range(const t_commrec *cr,int *at0,int *at1);
+void pd_at_range(const t_commrec *cr, int *at0, int *at1);
/* Get the range for the home particles */
gmx_localtop_t *split_system(FILE *log,
- gmx_mtop_t *mtop,t_inputrec *inputrec,
- t_commrec *cr);
+ gmx_mtop_t *mtop, t_inputrec *inputrec,
+ t_commrec *cr);
/* Split the system over N processors. */
-gmx_bool setup_parallel_vsites(t_idef *idef,t_commrec *cr,
- t_comm_vsites *vsitecomm);
+gmx_bool setup_parallel_vsites(t_idef *idef, t_commrec *cr,
+ t_comm_vsites *vsitecomm);
-t_state *partdec_init_local_state(t_commrec *cr,t_state *state_global);
+t_state *partdec_init_local_state(t_commrec *cr, t_state *state_global);
/* Generate a local state struct from the global one */
void
-pd_get_constraint_range(gmx_partdec_p_t pd,int *start,int *natoms);
+pd_get_constraint_range(gmx_partdec_p_t pd, int *start, int *natoms);
int *
/* Move x0 and also x1 if x1!=NULL */
void
pd_move_x_constraints(t_commrec * cr,
- rvec * x0,
- rvec * x1);
+ rvec * x0,
+ rvec * x1);
#ifdef __cplusplus
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff