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/* ----------------------------------------------------------------------
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"
/* ifdefs allow this file to be included in a C program */
#ifdef __cplusplus
extern "C" {
#endif
void lammps_open(int, char **, MPI_Comm, void **);
void lammps_open_no_mpi(int, char **, void **);
void lammps_close(void *);
void lammps_file(void *, char *);
char *lammps_command(void *, char *);
void lammps_free(void *);
void *lammps_extract_global(void *, char *);
void *lammps_extract_atom(void *, char *);
void *lammps_extract_compute(void *, char *, int, int);
void *lammps_extract_fix(void *, char *, int, int, int, int);
void *lammps_extract_variable(void *, char *, char *);
int lammps_get_natoms(void *);
void lammps_gather_atoms(void *, char *, int, int, void *);
void lammps_scatter_atoms(void *, char *, int, int, void *);
#ifdef __cplusplus
}
#endif
/* ERROR/WARNING messages:
W: Library error in lammps_gather_atoms
This library function cannot be used if atom IDs are not defined
or are not consecutively numbered.
W: Library error in lammps_scatter_atoms
This library function cannot be used if atom IDs are not defined or
are not consecutively numbered, or if no atom map is defined. See the
atom_modify command for details about atom maps.
*/
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