compute_sna_atom.h
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	/* ----------------------------------------------------------------------
	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 COMPUTE_CLASS

	ComputeStyle(sna/atom,ComputeSNAAtom)

	#else

	#ifndef LMP_COMPUTE_SNA_ATOM_H
	#define LMP_COMPUTE_SNA_ATOM_H

	#include "compute.h"

	namespace LAMMPS_NS {

	class ComputeSNAAtom : public Compute {
	public:
	ComputeSNAAtom(class LAMMPS , int, char *);
	~ComputeSNAAtom();
	void init();
	void init_list(int, class NeighList *);
	void compute_peratom();
	double memory_usage();

	private:
	int nmax, njmax, diagonalstyle;
	int ncoeff;
	double **cutsq;
	class NeighList *list;
	double **sna;
	double rcutfac;
	double *radelem;
	double *wjelem;
	class SNA** snaptr;
	double cutmax;

	};

	}

	#endif
	#endif