ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/branches/new_design/OOPSE-3.0/src/integrators/VelocityVerletIntegrator.hpp
Revision: 1774
Committed: Tue Nov 23 23:12:23 2004 UTC (19 years, 9 months ago) by tim
File size: 2310 byte(s)
Log Message:
refactory NPT integrator

File Contents

# User Rev Content
1 tim 1721 /*
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 VelocityVerletIntegrator.hpp
28     * @author tlin
29     * @date 11/08/2004
30     * @time 13:25am
31     * @version 1.0
32     */
33    
34     #ifndef INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP
35     #define INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP
36    
37 tim 1756 #include "integrators/Integrator.hpp"
38    
39 tim 1721 namespace oopse {
40    
41     /**
42     * @class VelocityVerletIntegrator VelocityVerletIntegrator.hpp "integrators/VelocityVerletIntegrator.hpp"
43     * @brief Velocity-Verlet Family Integrator
44 tim 1722 * Template pattern is used in VelocityVerletIntegrator class.
45 tim 1721 */
46 tim 1756 class VelocityVerletIntegrator : public Integrator {
47 tim 1721 public:
48 tim 1722 virtual ~VelocityVerletIntegrator();
49 tim 1721
50     virtual void integrate();
51    
52     protected:
53    
54     VelocityVerletIntegrator(SimInfo* info);
55    
56 tim 1758 protected:
57    
58 tim 1774 double dt;
59     double dt2;
60 tim 1758
61 tim 1756 private:
62 tim 1722 virtual void integrateStep();
63 tim 1721
64 tim 1756 virtual void thermalize();
65    
66     virtual void calcForce(bool needPotential, bool needStress);
67    
68 tim 1722 virtual void moveA() = 0;
69    
70 tim 1756 virtual void moveB() = 0;
71 tim 1722
72    
73 tim 1721 };
74    
75     } //end namespace oopse
76     #endif //INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP

Properties

Name Value
svn:executable *