1 |
#include "brains/Register.hpp" |
2 |
|
3 |
#include "integrators/IntegratorFactory.hpp" |
4 |
#include "integrators/IntegratorCreator.hpp" |
5 |
#include "integrators/Integrator.hpp" |
6 |
#include "integrators/NVE.hpp" |
7 |
#include "integrators/NVT.hpp" |
8 |
#include "integrators/NPTi.hpp" |
9 |
#include "integrators/NPTf.hpp" |
10 |
#include "integrators/NPTxyz.hpp" |
11 |
#include "minimizers/MinimizerFactory.hpp" |
12 |
#include "minimizers/MinimizerCreator.hpp" |
13 |
#include "minimizers/PRCG.hpp" |
14 |
#include "minimizers/SDMinimizer.hpp" |
15 |
#include "UseTheForce/DUFF.hpp" |
16 |
#include "UseTheForce/EAM.hpp" |
17 |
#include "UseTheForce/ForceFieldFactory.hpp" |
18 |
#include "UseTheForce/ForceFieldCreator.hpp" |
19 |
|
20 |
namespace oopse { |
21 |
|
22 |
|
23 |
void registerForceFields() { |
24 |
/** @todo move to a seperate initialization module */ |
25 |
//DUFF, WATER and LJ are merged into one force field |
26 |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF")); |
27 |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("WATER")); |
28 |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
29 |
//in theory, EAM can also be merged |
30 |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM>("EAM")); |
31 |
} |
32 |
|
33 |
void registerIntegrators() { |
34 |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); |
35 |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); |
36 |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi")); |
37 |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf")); |
38 |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz")); |
39 |
} |
40 |
|
41 |
void registerMinimizers() { |
42 |
MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD")); |
43 |
MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG")); |
44 |
} |
45 |
|
46 |
void registerAll() { |
47 |
registerForceFields(); |
48 |
registerIntegrators(); |
49 |
registerMinimizers(); |
50 |
} |
51 |
|
52 |
} |