fix_store_force.h
0092be084785lammm-master-deprecated

fix_store_force.h
View Options

			/* -- 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(store/force,FixStoreForce)

			#else

			#ifndef LMP_FIX_STORE_FORCE_H
			#define LMP_FIX_STORE_FORCE_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixStoreForce : public Fix {
			public:
			FixStoreForce(class LAMMPS , int, char *);
			~FixStoreForce();
			int setmask();
			void init();
			void setup(int);
			void min_setup(int);
			void post_force(int);
			void post_force_respa(int, int, int);
			void min_post_force(int);
			double memory_usage();

			private:
			int nlevels_respa;
			int nmax;
			double **foriginal; // stored force on atoms
			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			E: Illegal ... command

			Self-explanatory. Check the input script syntax and compare to the
			documentation for the command. You can use -echo screen as a
			command-line option when running LAMMPS to see the offending line.

			*/