pair_tersoff_zbl_cuda.h
fb16c0eb301blammm-master

pair_tersoff_zbl_cuda.h
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			/* ----------------------------------------------------------------------
			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