/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ /* C or Fortran style library interface to LAMMPS new LAMMPS-specific functions can be added */ #include "mpi.h" #include "error.h" /* ifdefs allow this file to be included in a C program */ #ifdef __cplusplus extern "C" { #endif const char *lammps_last_error(void *ptr); void lammps_open(int, char **, MPI_Comm, void **); void lammps_close(void *); void lammps_file(void *, char *); char *lammps_command(void *, char *); void *lammps_extract(void *, int, char *, char *); int lammps_get_natoms(void *); void lammps_get_coords(void *, double *); void lammps_put_coords(void *, double *); #ifdef __cplusplus } #endif