| 54 |
|
#include "minimizers/PRCG.hpp" |
| 55 |
|
#include "minimizers/SDMinimizer.hpp" |
| 56 |
|
#include "UseTheForce/DUFF.hpp" |
| 57 |
< |
#include "UseTheForce/EAM.hpp" |
| 57 |
> |
#include "UseTheForce/EAM_FF.hpp" |
| 58 |
|
#include "UseTheForce/ForceFieldFactory.hpp" |
| 59 |
|
#include "UseTheForce/ForceFieldCreator.hpp" |
| 60 |
+ |
#include "lattice/LatticeFactory.hpp" |
| 61 |
+ |
#include "lattice/LatticeCreator.hpp" |
| 62 |
+ |
#include "lattice/FCCLattice.hpp" |
| 63 |
|
|
| 64 |
|
namespace oopse { |
| 65 |
|
|
| 71 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("WATER")); |
| 72 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
| 73 |
|
//in theory, EAM can also be merged |
| 74 |
< |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM>("EAM")); |
| 74 |
> |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
| 75 |
|
} |
| 76 |
|
|
| 77 |
|
void registerIntegrators() { |
| 87 |
|
MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG")); |
| 88 |
|
} |
| 89 |
|
|
| 90 |
+ |
void registerLattice(){ |
| 91 |
+ |
LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC")); |
| 92 |
+ |
} |
| 93 |
+ |
|
| 94 |
|
void registerAll() { |
| 95 |
|
registerForceFields(); |
| 96 |
|
registerIntegrators(); |