| 139 |
|
virtual void addForceToAtomRow(int atom1, Vector3d fg) = 0; |
| 140 |
|
virtual void addForceToAtomColumn(int atom2, Vector3d fg) = 0; |
| 141 |
|
|
| 142 |
– |
virtual void addForceToAtomRowOMP(int atom1, Vector3d fg) = 0; |
| 143 |
– |
virtual void addForceToAtomColumnOMP(int atom2, Vector3d fg) = 0; |
| 144 |
– |
|
| 145 |
– |
|
| 142 |
|
// filling interaction blocks with pointers |
| 143 |
|
virtual void fillInteractionData(InteractionData &idat, int atom1, int atom2) = 0; |
| 144 |
|
virtual void fillInteractionDataOMP(InteractionDataPrv &idat, int atom1, int atom2) = 0; |