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root/group/branches/new_design/OOPSE-3.0/src/integrators/VelocityVerletIntegrator.hpp
Revision: 1820
Committed: Thu Dec 2 00:09:35 2004 UTC (19 years, 9 months ago) by tim
File size: 2866 byte(s)
Log Message:
NVE get built

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 tim 1820 #include "integrators/RotationAlgorithm.hpp"
39 tim 1756
40 tim 1721 namespace oopse {
41    
42     /**
43     * @class VelocityVerletIntegrator VelocityVerletIntegrator.hpp "integrators/VelocityVerletIntegrator.hpp"
44     * @brief Velocity-Verlet Family Integrator
45 tim 1722 * Template pattern is used in VelocityVerletIntegrator class.
46 tim 1721 */
47 tim 1756 class VelocityVerletIntegrator : public Integrator {
48 tim 1721 public:
49 tim 1722 virtual ~VelocityVerletIntegrator();
50 tim 1820
51     void setRotationAlgorithm(RotationAlgorithm* algo) {
52     if (algo != rotAlgo && rotAlgo != NULL){
53     delete rotAlgo;
54     }
55    
56     rotAlgo = algo;
57     }
58    
59 tim 1721 protected:
60    
61     VelocityVerletIntegrator(SimInfo* info);
62    
63 tim 1819 virtual void doIntegrate();
64    
65     virtual void initialize();
66    
67     virtual void preStep();
68 tim 1758
69 tim 1819 virtual void postStep();
70    
71     virtual void finalize();
72 tim 1820
73     RotationAlgorithm* rotAlgo;
74 tim 1819
75 tim 1774 double dt2;
76 tim 1819
77     double currSample;
78     double currStatus;
79     double currThermal;
80 tim 1758
81 tim 1756 private:
82 tim 1819
83 tim 1722 virtual void integrateStep();
84 tim 1721
85 tim 1756 virtual void calcForce(bool needPotential, bool needStress);
86    
87 tim 1722 virtual void moveA() = 0;
88    
89 tim 1756 virtual void moveB() = 0;
90 tim 1722
91 tim 1820 virtual DumpWriter* createDumpWriter();
92    
93     virtual StatWriter* createStatWriter();
94 tim 1819
95 tim 1721 };
96    
97     } //end namespace oopse
98 tim 1819 #endif //INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP

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