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reaxc_valence_angles_omp.h
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Sun, Sep 1, 16:24
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rLAMMPS lammps
reaxc_valence_angles_omp.h
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/*----------------------------------------------------------------------
PuReMD - Purdue ReaxFF Molecular Dynamics Program
Website: https://www.cs.purdue.edu/puremd
Copyright (2010) Purdue University
Contributing authors:
H. M. Aktulga, J. Fogarty, S. Pandit, A. Grama
Corresponding author:
Hasan Metin Aktulga, Michigan State University, hma@cse.msu.edu
Please cite the related publication:
H. M. Aktulga, J. C. Fogarty, S. A. Pandit, A. Y. Grama,
"Parallel Reactive Molecular Dynamics: Numerical Methods and
Algorithmic Techniques", Parallel Computing, 38 (4-5), 245-259
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_OMP_H_
#define __VALENCE_ANGLES_OMP_H_
#include "reaxc_types.h"
void
Valence_AnglesOMP
(
reax_system
*
,
control_params
*
,
simulation_data
*
,
storage
*
,
reax_list
**
,
output_controls
*
);
void
Calculate_dCos_ThetaOMP
(
rvec
,
double
,
rvec
,
double
,
rvec
*
,
rvec
*
,
rvec
*
);
#endif
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