fix_nvt_sllod.h
6c5bf6c71a50lammps-icms

fix_nvt_sllod.h
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			/* ----------------------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			www.cs.sandia.gov/~sjplimp/lammps.html
			Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories

			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(nvt/sllod,FixNVTSllod)

			#else

			#ifndef LMP_FIX_NVT_SLLOD_H
			#define LMP_FIX_NVT_SLLOD_H

			#include "fix_nh.h"

			namespace LAMMPS_NS {

			class FixNVTSllod : public FixNH {
			public:
			FixNVTSllod(class LAMMPS , int, char *);
			~FixNVTSllod() {}
			void init();

			private:
			int nondeformbias;

			void nh_v_temp();
			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			E: Temperature control must be used with fix nvt/sllod

			Self-explanatory.

			E: Pressure control can not be used with fix nvt/sllod

			Self-explanatory.

			E: Temperature for fix nvt/sllod does not have a bias

			The specified compute must compute temperature with a bias.

			E: Using fix nvt/sllod with inconsistent fix deform remap option

			Fix nvt/sllod requires that deforming atoms have a velocity profile
			provided by "remap v" as a fix deform option.

			E: Using fix nvt/sllod with no fix deform defined

			Self-explanatory.

			*/