| 66 |
|
#include "UseTheForce/SC_FF.hpp" |
| 67 |
|
#include "UseTheForce/MnM_FF.hpp" |
| 68 |
|
#include "UseTheForce/CLAYFF.hpp" |
| 69 |
+ |
#include "UseTheForce/Amber_FF.hpp" |
| 70 |
|
#include "lattice/LatticeFactory.hpp" |
| 71 |
|
#include "lattice/LatticeCreator.hpp" |
| 72 |
|
#include "lattice/FCCLattice.hpp" |
| 86 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); |
| 87 |
|
//Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). |
| 88 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC")); |
| 89 |
< |
//Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. |
| 90 |
< |
//That sounds like a good idea right...... |
| 91 |
< |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM")); |
| 89 |
> |
//Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. |
| 90 |
> |
//That sounds like a good idea right...... |
| 91 |
> |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM")); |
| 92 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY")); |
| 93 |
+ |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<Amber_FF>("Amber")); |
| 94 |
|
} |
| 95 |
< |
|
| 95 |
> |
|
| 96 |
|
void registerIntegrators() { |
| 97 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); |
| 98 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); |
