fix_freeze.h
47552d40335elammm-master-deprecated

fix_freeze.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 FIX_CLASS

			FixStyle(freeze,FixFreeze)

			#else

			#ifndef LMP_FIX_FREEZE_H
			#define LMP_FIX_FREEZE_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixFreeze : public Fix {
			public:
			FixFreeze(class LAMMPS , int, char *);
			int setmask();
			void init();
			void setup(int);
			void post_force(int);
			void post_force_respa(int, int, int);
			double compute_vector(int);

			private:
			int force_flag;
			double foriginal[3],foriginal_all[3];
			};

			}

			#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.

			E: Fix freeze requires atom attribute torque

			The atom style defined does not have this attribute.

			E: More than one fix freeze

			Only one of these fixes can be defined, since the granular pair
			potentials access it.

			*/