pair_eam_alloy.h
48aa45f7f072lammm-master-deprecated

pair_eam_alloy.h
View Options

			/* -- c++ -- ----------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

			Copyright (2003) Sandia Corporation. Under the terms of Contract
			DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
			certain rights in this software. This software is distributed under
			the GNU General Public License.

			See the README file in the top-level LAMMPS directory.
			------------------------------------------------------------------------- */

			#ifdef PAIR_CLASS

			PairStyle(eam/alloy,PairEAMAlloy)

			#else

			#ifndef LMP_PAIR_EAM_ALLOY_H
			#define LMP_PAIR_EAM_ALLOY_H

			#include "pair_eam.h"

			namespace LAMMPS_NS {

			// need virtual public b/c of how eam/alloy/opt inherits from it

			class PairEAMAlloy : virtual public PairEAM {
			public:
			PairEAMAlloy(class LAMMPS *);
			virtual ~PairEAMAlloy() {}
			void coeff(int, char **);

			protected:
			void read_file(char *);
			void file2array();
			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			E: Incorrect args for pair coefficients

			Self-explanatory. Check the input script or data file.

			E: No matching element in EAM potential file

			The EAM potential file does not contain elements that match the
			requested elements.

			E: Cannot open EAM potential file %s

			The specified EAM potential file cannot be opened. Check that the
			path and name are correct.

			E: Incorrect element names in EAM potential file

			The element names in the EAM file do not match those requested.

			*/