improper_hybrid.h
147842df01ablammps-icms

improper_hybrid.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 IMPROPER_CLASS

			ImproperStyle(hybrid,ImproperHybrid)

			#else

			#ifndef LMP_IMPROPER_HYBRID_H
			#define LMP_IMPROPER_HYBRID_H

			#include "stdio.h"
			#include "improper.h"

			namespace LAMMPS_NS {

			class ImproperHybrid : public Improper {
			public:
			ImproperHybrid(class LAMMPS *);
			~ImproperHybrid();
			void compute(int, int);
			void settings(int, char **);
			void coeff(int, char **);
			void write_restart(FILE *);
			void read_restart(FILE *);
			double memory_usage();

			private:
			int nstyles; // # of different improper styles
			Improper **styles; // class list for each Improper style
			char **keywords; // keyword for each improper style
			int *map; // which style each improper type points to

			int *nimproperlist; // # of impropers in sub-style improperlists
			int *maximproper; // max # of impropers sub-style lists can store
			int ***improperlist; // improperlist for each sub-style

			void allocate();
			};

			}

			#endif
			#endif