fix_addtorque.h
a362ece3e7e1lammm-master

fix_addtorque.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(addtorque,FixAddTorque)

			#else

			#ifndef LMP_FIX_ADDTORQUE_H
			#define LMP_FIX_ADDTORQUE_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixAddTorque : public Fix {
			public:
			FixAddTorque(class LAMMPS , int, char *);
			~FixAddTorque();
			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 compute_scalar();
			double compute_vector(int);

			private:
			double xvalue,yvalue,zvalue;
			int varflag;
			char xstr,ystr,*zstr;
			int xvar,yvar,zvar,xstyle,ystyle,zstyle;
			double foriginal[4],foriginal_all[4];
			int force_flag;
			int nlevels_respa;
			};

			}

			#endif
			#endif