pair_buck_coul_msm.h
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* -- 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(buck/coul/msm,PairBuckCoulMSM)

	#else

	#ifndef LMP_PAIR_BUCK_COUL_MSM_H
	#define LMP_PAIR_BUCK_COUL_MSM_H

	#include "pair_buck_coul_long.h"

	namespace LAMMPS_NS {

	class PairBuckCoulMSM : public PairBuckCoulLong {
	public:
	PairBuckCoulMSM(class LAMMPS *);
	virtual ~PairBuckCoulMSM();
	virtual void compute(int, int);
	virtual double single(int, int, int, int, double, double, double, double &);
	virtual void extract(const char , int &);
	protected:
	int nmax;
	double **ftmp;
	};

	}

	#endif
	#endif

	/* ERROR/WARNING messages:

	E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM

	The kspace scalar pressure option cannot be used to obtain per-atom virial.

	*/