ewald.h
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	/* ----------------------------------------------------------------------
	LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
	www.cs.sandia.gov/~sjplimp/lammps.html
	Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories

	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.
	------------------------------------------------------------------------- */

	#ifndef EWALD_H
	#define EWALD_H

	#include "kspace.h"

	class Ewald : public KSpace {
	public:
	Ewald(int, char **);
	~Ewald();
	void init();
	void setup();
	void compute(int, int);
	int memory_usage();

	private:
	double PI;
	double precision;
	int kcount,kmax,kmax3d,kmax_created;
	double qqrd2e;
	double gsqmx,qsum,qsqsum,volume;
	int nmax;

	double unitk[3];
	int kxvecs,kyvecs,*kzvecs;
	double *ug;
	double eg,vg;
	double **ek;
	double sfacrl,sfacim,sfacrl_all,sfacim_all;
	double *cs,*sn;

	void eik_dot_r();
	void coeffs();
	void allocate();
	void deallocate();
	void slabcorr(int);
	};

	#endif