ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/brains/Register.cpp
Revision: 1297
Committed: Fri Sep 26 18:54:04 2008 UTC (16 years, 7 months ago) by skuang
File size: 6390 byte(s)
Log Message: 
Only build SMIPDynamics and register it if we have qhull

File Contents

# User Rev Content
1 gezelter 507 /*
2 gezelter 246 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3     *
4     * The University of Notre Dame grants you ("Licensee") a
5     * non-exclusive, royalty free, license to use, modify and
6     * redistribute this software in source and binary code form, provided
7     * that the following conditions are met:
8     *
9     * 1. Acknowledgement of the program authors must be made in any
10     * publication of scientific results based in part on use of the
11     * program. An acceptable form of acknowledgement is citation of
12     * the article in which the program was described (Matthew
13     * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14     * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15     * Parallel Simulation Engine for Molecular Dynamics,"
16     * J. Comput. Chem. 26, pp. 252-271 (2005))
17     *
18     * 2. Redistributions of source code must retain the above copyright
19     * notice, this list of conditions and the following disclaimer.
20     *
21     * 3. Redistributions in binary form must reproduce the above copyright
22     * notice, this list of conditions and the following disclaimer in the
23     * documentation and/or other materials provided with the
24     * distribution.
25     *
26     * This software is provided "AS IS," without a warranty of any
27     * kind. All express or implied conditions, representations and
28     * warranties, including any implied warranty of merchantability,
29     * fitness for a particular purpose or non-infringement, are hereby
30     * excluded. The University of Notre Dame and its licensors shall not
31     * be liable for any damages suffered by licensee as a result of
32     * using, modifying or distributing the software or its
33     * derivatives. In no event will the University of Notre Dame or its
34     * licensors be liable for any lost revenue, profit or data, or for
35     * direct, indirect, special, consequential, incidental or punitive
36     * damages, however caused and regardless of the theory of liability,
37     * arising out of the use of or inability to use software, even if the
38     * University of Notre Dame has been advised of the possibility of
39     * such damages.
40     */
41    
42     #include "brains/Register.hpp"
43    
44     #include "integrators/IntegratorFactory.hpp"
45     #include "integrators/IntegratorCreator.hpp"
46     #include "integrators/Integrator.hpp"
47     #include "integrators/NVE.hpp"
48     #include "integrators/NVT.hpp"
49     #include "integrators/NPTi.hpp"
50     #include "integrators/NPTf.hpp"
51     #include "integrators/NPTxyz.hpp"
52 tim 536 #include "integrators/NPAT.hpp"
53     #include "integrators/NPrT.hpp"
54 gezelter 1032 #include "integrators/NgammaT.hpp"
55 tim 895 #include "integrators/LangevinDynamics.hpp"
56 skuang 1297 #if defined(HAVE_QHULL)
57 chuckv 1292 #include "integrators/SMIPDynamics.hpp"
58 skuang 1297 #endif
59 tim 536
60 gezelter 246 #include "minimizers/MinimizerFactory.hpp"
61     #include "minimizers/MinimizerCreator.hpp"
62     #include "minimizers/PRCG.hpp"
63     #include "minimizers/SDMinimizer.hpp"
64     #include "UseTheForce/DUFF.hpp"
65 gezelter 368 #include "UseTheForce/EAM_FF.hpp"
66 gezelter 246 #include "UseTheForce/ForceFieldFactory.hpp"
67     #include "UseTheForce/ForceFieldCreator.hpp"
68 chrisfen 514 #include "UseTheForce/SHAPES_FF.hpp"
69 chuckv 728 #include "UseTheForce/SC_FF.hpp"
70 chuckv 1153 #include "UseTheForce/MnM_FF.hpp"
71 gezelter 788 #include "UseTheForce/CLAYFF.hpp"
72 gezelter 1269 #include "UseTheForce/Amber_FF.hpp"
73 tim 484 #include "lattice/LatticeFactory.hpp"
74     #include "lattice/LatticeCreator.hpp"
75 tim 487 #include "lattice/FCCLattice.hpp"
76 gezelter 246
77     namespace oopse {
78    
79    
80 gezelter 507 void registerForceFields() {
81 gezelter 246 /** @todo move to a seperate initialization module */
82     //DUFF, WATER and LJ are merged into one force field
83     ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF"));
84     ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("WATER"));
85     ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
86     //in theory, EAM can also be merged
87 gezelter 368 ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
88 chrisfen 514 //heck, that worked... let's try merging SHAPES
89     ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
90 chuckv 728 //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
91     ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
92 gezelter 1269 //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
93     //That sounds like a good idea right......
94     ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
95 gezelter 788 ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
96 gezelter 1269 ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<Amber_FF>("Amber"));
97 gezelter 507 }
98 gezelter 1269
99 gezelter 507 void registerIntegrators() {
100 gezelter 246 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE"));
101     IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT"));
102 chrisfen 705 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI"));
103     IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF"));
104     IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ"));
105 tim 536 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
106 chrisfen 705 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
107 gezelter 945 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT"));
108 gezelter 1032 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT"));
109     IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT"));
110 tim 895 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
111 gezelter 945 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
112 skuang 1297 #if defined(HAVE_QHULL)
113 chuckv 1292 IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<SMIPDynamics>("SMIPD"));
114 skuang 1297 #endif
115 gezelter 507 }
116 gezelter 246
117 gezelter 507 void registerMinimizers() {
118 gezelter 246 MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD"));
119     MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG"));
120 gezelter 507 }
121 gezelter 246
122 gezelter 507 void registerLattice(){
123 tim 484 LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC"));
124 gezelter 507 }
125 tim 484
126 gezelter 507 void registerAll() {
127 gezelter 246 registerForceFields();
128     registerIntegrators();
129     registerMinimizers();
130 gezelter 507 }
131 gezelter 246
132     }

Properties

Name Value
svn:executable *