40 lines
1.4 KiB
C
40 lines
1.4 KiB
C
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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/*
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C or Fortran style library interface to LAMMPS
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new LAMMPS-specific functions can be added
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*/
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#include "mpi.h"
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/* ifdefs allow this file to be included in a C program */
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#ifdef __cplusplus
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extern "C" {
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#endif
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void lammps_open(int, char **, MPI_Comm, void **); /* start-up LAMMPS */
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void lammps_close(void *); /* shut-down LAMMPS */
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void lammps_file(void *, char *); /* run an input script */
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char *lammps_command(void *, char *); /* execute a command */
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int lammps_get_natoms(void *); /* return # of atoms */
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void lammps_get_coords(void *, double *); /* get atom x from all procs */
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void lammps_put_coords(void *, double *); /* put atom x on all procs */
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#ifdef __cplusplus
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}
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#endif
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