| 86 |
|
virtual Inversion* createInversion(ForceField* ff, Molecule* mol, |
| 87 |
|
InversionStamp* stamp); |
| 88 |
|
virtual CutoffGroup* createCutoffGroup(Molecule* mol, |
| 89 |
< |
CutoffGroupStamp* stamp); |
| 90 |
< |
virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom); |
| 89 |
> |
CutoffGroupStamp* stamp, |
| 90 |
> |
LocalIndexManager* localIndexMan); |
| 91 |
> |
virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom, |
| 92 |
> |
LocalIndexManager* localIndexMan); |
| 93 |
|
virtual void createConstraintPair(Molecule* mol); |
| 94 |
|
virtual void createConstraintElem(Molecule* mol); |
| 95 |
|
}; |