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pair_tersoff_zbl_cuda.h
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Thu, Nov 7, 06:04

pair_tersoff_zbl_cuda.h

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
Original Version:
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
See the README file in the top-level LAMMPS directory.
-----------------------------------------------------------------------
USER-CUDA Package and associated modifications:
https://sourceforge.net/projects/lammpscuda/
Christian Trott, christian.trott@tu-ilmenau.de
Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
Theoretical Physics II, University of Technology Ilmenau, Germany
See the README file in the USER-CUDA directory.
This software is distributed under the GNU General Public License.
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(tersoff/zbl/cuda,PairTersoffZBLCuda)
#else
#ifndef PAIR_TERSOFF_ZBL_CUDA_H
#define PAIR_TERSOFF_ZBL_CUDA_H
#include "pair_tersoff_cuda.h"
namespace LAMMPS_NS {
class PairTersoffZBLCuda : public PairTersoffCuda
{
public:
PairTersoffZBLCuda(class LAMMPS *);
private:
double global_a_0; // Bohr radius for Coulomb repulsion
double global_epsilon_0; // permittivity of vacuum for Coulomb repulsion
double global_e; // proton charge (negative of electron charge)
void read_file(char *);
void coeff(int narg, char **arg);
};
}
#endif
#endif

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