# | Line 1 | Line 1 | |
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1 | < | /* |
1 | > | /* |
2 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | |
3 | * | |
4 | * The University of Notre Dame grants you ("Licensee") a | |
# | Line 64 | Line 64 | namespace oopse { | |
64 | namespace oopse { | |
65 | ||
66 | ||
67 | < | void registerForceFields() { |
67 | > | void registerForceFields() { |
68 | /** @todo move to a seperate initialization module */ | |
69 | //DUFF, WATER and LJ are merged into one force field | |
70 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF")); | |
# | Line 72 | Line 72 | void registerForceFields() { | |
72 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); | |
73 | //in theory, EAM can also be merged | |
74 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); | |
75 | < | } |
75 | > | } |
76 | ||
77 | < | void registerIntegrators() { |
77 | > | void registerIntegrators() { |
78 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); | |
79 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); | |
80 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi")); | |
81 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf")); | |
82 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz")); | |
83 | < | } |
83 | > | } |
84 | ||
85 | < | void registerMinimizers() { |
85 | > | void registerMinimizers() { |
86 | MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD")); | |
87 | MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG")); | |
88 | < | } |
88 | > | } |
89 | ||
90 | < | void registerLattice(){ |
90 | > | void registerLattice(){ |
91 | LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC")); | |
92 | < | } |
92 | > | } |
93 | ||
94 | < | void registerAll() { |
94 | > | void registerAll() { |
95 | registerForceFields(); | |
96 | registerIntegrators(); | |
97 | registerMinimizers(); | |
98 | < | } |
98 | > | } |
99 | ||
100 | } |
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