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LAMMPS-wrapper2.h
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Thu, Aug 1, 15:54
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rLAMMPS lammps
LAMMPS-wrapper2.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: Nir Goldman, ngoldman@llnl.gov, Oct. 19th, 2016
------------------------------------------------------------------------- */
/* 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_set_callback (void *);
void lammps_set_user_energy (void*, double);
void lammps_set_user_virial (void*, double*);
void lammps_set_external_vector_length (void*, int);
void lammps_set_external_vector (void*, int, double);
#ifdef __cplusplus
}
#endif
/* vim: set ts=3 sts=3 expandtab: */
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