| 64 |
|
#include "minimizers/SDMinimizer.hpp" |
| 65 |
|
#include "UseTheForce/DUFF.hpp" |
| 66 |
|
#include "UseTheForce/EAM_FF.hpp" |
| 67 |
+ |
#include "UseTheForce/EADM_FF.hpp" |
| 68 |
|
#include "UseTheForce/ForceFieldFactory.hpp" |
| 69 |
|
#include "UseTheForce/ForceFieldCreator.hpp" |
| 70 |
|
#include "UseTheForce/SHAPES_FF.hpp" |
| 87 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
| 88 |
|
//in theory, EAM can also be merged |
| 89 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
| 90 |
+ |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EADM_FF>("EADM")); |
| 91 |
|
//heck, that worked... let's try merging SHAPES |
| 92 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); |
| 93 |
|
//Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). |