ewald_omp.h
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	/* -- 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 KSPACE_CLASS

	KSpaceStyle(ewald/omp,EwaldOMP)

	#else

	#ifndef LMP_EWALD_OMP_H
	#define LMP_EWALD_OMP_H

	#include "kspace.h"

	namespace LAMMPS_NS {

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

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

	double unitk[3];
	int kxvecs,kyvecs,*kzvecs;
	int *is_charged;
	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
	#endif