/*---------------------------------------------------------------------- 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 __SPUREMD_H_ #define __SPUREMD_H_ #define SPUREMD_SUCCESS (0) #define SPUREMD_FAILURE (-1) #include "mytypes.h" #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 ); #ifdef __cplusplus } #endif #endif