valence_angles.h

/*----------------------------------------------------------------------
  PuReMD - Purdue ReaxFF Molecular Dynamics Program

  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 __VALENCE_ANGLES_H_
#define __VALENCE_ANGLES_H_

#include "reax_types.h"


#ifdef __cplusplus
extern "C" {
#endif

void Calculate_Theta( const rvec, real, rvec, real,
        real * const, real * const );

void Calculate_dCos_Theta( const rvec, real, rvec, real,
        rvec * const, rvec * const, rvec * const );

void Valence_Angles( reax_system * const, control_params * const, simulation_data * const,
        storage * const, reax_list** const, output_controls * const );

#ifdef __cplusplus
}
#endif


#endif