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/*----------------------------------------------------------------------
SerialReax - Reax Force Field Simulator
Copyright (2010) Purdue University
Hasan Metin Aktulga, haktulga@cs.purdue.edu
Joseph Fogarty, jcfogart@mail.usf.edu
Sagar Pandit, pandit@usf.edu
Ananth Y Grama, ayg@cs.purdue.edu
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License as
published by the Free Software Foundation; either version 2 of
the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
See the GNU General Public License for more details:
<http://www.gnu.org/licenses/>.
----------------------------------------------------------------------*/
#ifndef __PUREMD_H_
#define __PUREMD_H_
#include "reax_types.h"
#define PUREMD_SUCCESS (0)
#define PUREMD_FAILURE (-1)
#ifdef __cplusplus
extern "C" {
#endif
void* setup( const char * const, const char * const,
const char * const );
int setup_callback( const void * const, const callback_function );
int simulate( const void * const );
int cleanup( const void * const );
reax_atom* get_atoms( const void * const );
int set_output_enabled( const void * const, const int );
#ifdef __cplusplus
}
#endif
#endif