fix_nvt_sllod_omp.h
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* -- c++ -- ----------------------------------------------------------
	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/omp,FixNVTSllodOMP)

	#else

	#ifndef LMP_FIX_NVT_SLLOD_OMP_H
	#define LMP_FIX_NVT_SLLOD_OMP_H

	#include "fix_nh_omp.h"

	namespace LAMMPS_NS {

	class FixNVTSllodOMP : public FixNHOMP {
	public:
	FixNVTSllodOMP(class LAMMPS , int, char *);
	virtual ~FixNVTSllodOMP() {}
	virtual void init();

	private:
	int nondeformbias;

	virtual 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.

	*/