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LAMMPS-wrapper.h
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Thu, Nov 28, 16:26
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rLAMMPS lammps
LAMMPS-wrapper.h
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/* -----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------
Contributing author: Karl D. Hammond <karlh@ugcs.caltech.edu>
University of Tennessee, Knoxville (USA), 2012
------------------------------------------------------------------------- */
/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself
provides a (I hope) robust Fortran interface to library.cpp and
library.h. All prototypes herein COULD be added to library.h instead of
including this as a separate file. See the README for instructions. */
#ifdef __cplusplus
extern
"C"
{
#endif
/* Prototypes for auxiliary functions */
void
lammps_open_fortran_wrapper
(
int
,
char
**
,
MPI_Fint
,
void
**
);
int
lammps_get_ntypes
(
void
*
);
int
lammps_extract_compute_vectorsize
(
void
*
,
char
*
,
int
);
void
lammps_extract_compute_arraysize
(
void
*
,
char
*
,
int
,
int
*
,
int
*
);
int
lammps_extract_fix_vectorsize
(
void
*
,
char
*
,
int
);
void
lammps_extract_fix_arraysize
(
void
*
,
char
*
,
int
,
int
*
,
int
*
);
void
lammps_error_all
(
void
*
,
const
char
*
,
int
,
const
char
*
);
#ifdef __cplusplus
}
#endif
/* vim: set ts=3 sts=3 expandtab: */
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