fix_nphug.h
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* ----------------------------------------------------------------------
	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(nphug,FixNPHug)

	#else

	#ifndef LMP_FIX_NPHUG_H
	#define LMP_FIX_NPHUG_H

	#include "fix_nh.h"

	namespace LAMMPS_NS {

	class FixNPHug : public FixNH {
	public:
	FixNPHug(class LAMMPS , int, char *);
	~FixNPHug();
	void init();
	void setup(int);
	int modify_param(int, char **);
	int pack_restart_data(double *); // pack restart data
	void restart(char *);

	private:
	class Compute *pe; // PE compute pointer

	void compute_temp_target();
	double compute_vector(int);
	double compute_etotal();
	double compute_vol();
	double compute_hugoniot();
	double compute_us();
	double compute_up();

	char *id_pe;
	int peflag;
	int v0_set,p0_set,e0_set;
	double v0,p0,e0,rho0;
	int idir;
	int uniaxial;

	int size_restart_global();
	};

	}

	#endif
	#endif