1 |
/* |
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 |
class NPTf : public NPT{ |
41 |
public: |
42 |
|
43 |
NPTf ( SimInfo* info); |
44 |
virtual ~NPTf(); |
45 |
|
46 |
protected: |
47 |
|
48 |
Mat3x3d eta; |
49 |
|
50 |
private: |
51 |
|
52 |
virtual void evolveEtaA(); |
53 |
virtual void evolveEtaB(); |
54 |
|
55 |
virtual bool etaConverged(); |
56 |
|
57 |
virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel); |
58 |
virtual void getVelScaleB(Vector3d& sc, int index ); |
59 |
virtual void getPosScale(const Vector3d& pos, const Vector3d& COM, |
60 |
int index, Vector3d& sc); |
61 |
|
62 |
virtual void calcVelScale(); |
63 |
|
64 |
virtual void scaleSimBox(); |
65 |
virtual double calcConservedQuantity(); |
66 |
|
67 |
Mat3x3d oldEta; |
68 |
Mat3x3d prevEta; |
69 |
Mat3x3d vScale; |
70 |
}; |
71 |
|
72 |
}//end namespace oopse |
73 |
|
74 |
#endif //INTEGRATORS_NPTF_HPP |