src/integrators/NPTf.hpp

/*
 * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
 * 
 * Contact: oopse@oopse.org
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
 *
 */

/**
 * @file NPTf.hpp
 * @author tlin
 * @date 11/19/2004
 * @time 4:27pm
 * @version 1.0
 */

#ifndef INTEGRATORS_NPTF_HPP
#define INTEGRATORS_NPTF_HPP

#include "integrators/NPT.hpp"
namespace oopse {

class NPTf : public NPT{
    public:

        NPTf ( SimInfo* info) : NPT(info) {}

    protected:

        Mat3x3d eta;

    private:

        virtual void evolveEtaA();
        virtual void evolveEtaB();

        virtual bool etaConverged();

        virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel);
        virtual void getVelScaleB(Vector3d& sc, int index );
        virtual void getPosScale(const Vector3d& pos, const Vector3d& COM,  int index, Vector3d& sc);

        virtual void calcVelScale();
        
        virtual void scaleSimBox();
        virtual double calcConservedQuantity();

        virtual void loadEta();
        virtual void saveEta();
            
        Mat3x3d oldEta;
        Mat3x3d prevEta;
        Mat3x3d vScale;
};


}//end namespace oopse

#endif //INTEGRATORS_NPTF_HPP
Revision:	1837
Committed:	Thu Dec 2 22:15:31 2004 UTC (19 years, 7 months ago) by tim
File size:	2170 byte(s)
Log Message:	refine factory pattern to make it initialized correctly
#	User	Rev	Content
1	tim	1762	/*
2			* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project
3			*
4			* Contact: oopse@oopse.org
5			*
6			* This program is free software; you can redistribute it and/or
7			* modify it under the terms of the GNU Lesser General Public License
8			* as published by the Free Software Foundation; either version 2.1
9			* of the License, or (at your option) any later version.
10			* All we ask is that proper credit is given for our work, which includes
11			* - but is not limited to - adding the above copyright notice to the beginning
12			* of your source code files, and to any copyright notice that you may distribute
13			* with programs based on this work.
14			*
15			* This program is distributed in the hope that it will be useful,
16			* but WITHOUT ANY WARRANTY; without even the implied warranty of
17			* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18			* GNU Lesser General Public License for more details.
19			*
20			* You should have received a copy of the GNU Lesser General Public License
21			* along with this program; if not, write to the Free Software
22			* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
23			*
24			*/
25
26			/**
27			* @file NPTf.hpp
28			* @author tlin
29			* @date 11/19/2004
30			* @time 4:27pm
31			* @version 1.0
32			*/
33
34			#ifndef INTEGRATORS_NPTF_HPP
35			#define INTEGRATORS_NPTF_HPP
36
37			#include "integrators/NPT.hpp"
38			namespace oopse {
39
40	tim	1774	class NPTf : public NPT{
41			public:
42	tim	1762
43	tim	1837	NPTf ( SimInfo* info) : NPT(info) {}
44	tim	1762
45	tim	1774	protected:
46	tim	1762
47	tim	1774	Mat3x3d eta;
48	tim	1762
49	tim	1774	private:
50	tim	1762
51	tim	1774	virtual void evolveEtaA();
52			virtual void evolveEtaB();
53	tim	1762
54	tim	1774	virtual bool etaConverged();
55	tim	1762
56	tim	1774	virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel);
57			virtual void getVelScaleB(Vector3d& sc, int index );
58	tim	1822	virtual void getPosScale(const Vector3d& pos, const Vector3d& COM, int index, Vector3d& sc);
59	tim	1762
60	tim	1774	virtual void calcVelScale();
61
62			virtual void scaleSimBox();
63			virtual double calcConservedQuantity();
64	tim	1762
65	tim	1837	virtual void loadEta();
66			virtual void saveEta();
67
68	tim	1774	Mat3x3d oldEta;
69			Mat3x3d prevEta;
70			Mat3x3d vScale;
71	tim	1762	};
72
73	tim	1837
74	tim	1762	}//end namespace oopse
75
76			#endif //INTEGRATORS_NPTF_HPP