fix_reaxc_bonds.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 FIX_CLASS

	FixStyle(reax/c/bonds,FixReaxCBonds)

	#else

	#ifndef LMP_FIX_REAXC_BONDS_H
	#define LMP_FIX_REAXC_BONDS_H

	#include <stdio.h>
	#include "fix.h"
	#include "pointers.h"

	namespace LAMMPS_NS {

	class FixReaxCBonds : public Fix {
	public:
	FixReaxCBonds(class LAMMPS , int, char *);
	virtual ~FixReaxCBonds();
	int setmask();
	virtual void init();
	void setup(int);
	void end_of_step();

	protected:
	int me, nprocs, nmax, ntypes, maxsize;
	int *numneigh;
	tagint **neighid;
	double **abo;
	FILE *fp;

	void allocate();
	void destroy();
	virtual void Output_ReaxC_Bonds(bigint, FILE *);
	void FindBond(struct _reax_list*, int &);
	void PassBuffer(double *, int &);
	void RecvBuffer(double *, int, int, int, int);
	int nint(const double &);
	virtual double memory_usage();

	bigint nvalid, nextvalid();
	struct _reax_list *lists;
	class PairReaxC *reaxc;
	class NeighList *list;
	};
	}

	#endif
	#endif