| 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 |
|
|
| 68 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("WATER")); |
| 69 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
| 70 |
|
//in theory, EAM can also be merged |
| 71 |
< |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM>("EAM")); |
| 71 |
> |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
| 72 |
|
} |
| 73 |
|
|
| 74 |
|
void registerIntegrators() { |