+++ /dev/null
-/*
- * This file is part of the GROMACS molecular simulation package.
- *
- * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2010, by the GROMACS development team, led by
- * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
- * and including many others, as listed in the AUTHORS file in the
- * top-level source directory and at http://www.gromacs.org.
- *
- * GROMACS is free software; you can redistribute it and/or
- * modify it under the terms of the GNU Lesser General Public License
- * as published by the Free Software Foundation; either version 2.1
- * of the License, or (at your option) any later version.
- *
- * GROMACS is distributed in the hope that it will be useful,
- * but WITHOUT ANY WARRANTY; without even the implied warranty of
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
- * Lesser General Public License for more details.
- *
- * You should have received a copy of the GNU Lesser General Public
- * License along with GROMACS; if not, see
- * http://www.gnu.org/licenses, or write to the Free Software Foundation,
- * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
- *
- * If you want to redistribute modifications to GROMACS, 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
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- *
- * To help us fund GROMACS development, we humbly ask that you cite
- * the research papers on the package. Check out http://www.gromacs.org.
- */
-
-#ifndef _split_h
-#define _split_h
-
-/*
- * Determine on which node a particle should reside and on which
- * node is also should be available. The distribution algorithm
- * should account for the actual ring architecture and how nodes
- * are numbered. The typedef t_splitd has two separate structures that
- * describe the distribution:
- *
- * The nodeinfo part describes which node containst which particles,
- * while the nodeids part describes on which node(s) a particle can be
- * found and what local particle number is assigned to it.
- *
- */
-
-#include <stdio.h>
-#include "typedefs.h"
-
-#ifdef __cplusplus
-extern "C" {
-#endif
-
-typedef enum {
- SPLIT_NONE, SPLIT_SORTX, SPLIT_REDUCE, SPLIT_NR
-} t_splitalg;
-
-typedef struct
-{
- int hid;
- atom_id *nodeid;
-} t_nodeids;
-
-typedef struct
-{
- int nr; /* Length of the long list. */
- int *lst; /* The actual list. */
-} t_nlist;
-
-typedef struct
-{
- t_nlist home; /* List of home particles. */
-} t_nodeinfo;
-
-typedef struct
-{
- int nnodes; /* Number of nodes this splitinfo is for. */
- t_nodeinfo *nodeinfo; /* Home and available particles for each node. */
- int nnodeids; /* Number of particles this splitinfo is for. */
- t_nodeids *nodeids; /* List of node id's for every particle, */
- /* entry[nodeid] gives the local atom id (NO_ATID if*/
- /* not available). Entry[MAXNODES] contains home */
- /* node's id. */
-} t_splitd;
-
-void init_splitd(t_splitd *splitd, int nnodes, int nnodeids);
-/*
- * Initialises the splitd data structure for the specified number of
- * nodes (nnodes) and number of atoms (nnodeids).
- */
-
-void make_splitd(t_splitalg algorithm, int nnodes, t_topology *top,
- rvec *x, t_splitd *splitd, char *loadfile);
-/*
- * Initialises the splitd data structure for the specified number of
- * nodes (nnodes) and number of atoms (top) and fills it using
- * the specified algorithm (algorithm):
- *
- * SPLIT_NONE : Generate partial systems by dividing it into nnodes
- * consecutive, equal, parts without any intelligence.
- * SPLIT_SORTX : Like SPLIT_NONE but sort the coordinates before
- * dividing the system into nnodes consecutive, equal,
- * parts.
- * SPLIT_REDUCE : Like SPLIT_NONE but minimise the bond lengths, i.e
- * invoke the reduce algorithm before dividing the
- * system into nnodes consecutive, equal, parts.
- *
- * The topology (top) and the coordinates (x) are not modified. The
- * calculations of bonded forces are assigned to the node with
- * the highest id that has one of the needed particles as home particle.
- */
-
-long wr_split(FILE *fp, t_splitd *splitd);
-/*
- * Writes the split descriptor (splitd) to the file specified by fp.
- */
-
-long rd_split(FILE *fp, t_splitd *splitd);
-/*
- * Reads the split descriptor (splitd) from the file specified by fp.
- */
-
-void rm_splitd(t_splitd *splitd);
-/*
- * Frees all allocated space for the splitd data structure.
- */
-
-void pr_splitd(FILE *fp, int indent, char *title, t_splitd *splitd);
-/*
- * This routine prints out a (human) readable representation of
- * the split descriptor to the file fp. Ident specifies the
- * number of spaces the text should be indented. Title is used
- * to print a header text.
- */
-
-void split_topology(t_splitalg algorithm, int nnodes, t_topology *top,
- rvec x[], char *loadfile);
-/*
- * Distributes the non-bonded forces defined in top over nnodes nodes
- * using the algoritm specified by algorithm. The distribution is made
- * by creating a split descriptor and then putting a bonded force on the
- * highest home node number of the paricles involved.
- */
-
-#ifdef __cplusplus
-}
-#endif
-
-#endif /* _split_h */