| 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 |
+ |
|
| 146 |
|
// filling interaction blocks with pointers |
| 147 |
|
virtual void fillInteractionData(InteractionData &idat, int atom1, int atom2) = 0; |
| 148 |
+ |
virtual void fillInteractionDataOMP(InteractionDataPrv &idat, int atom1, int atom2) = 0; |
| 149 |
|
virtual void unpackInteractionData(InteractionData &idat, int atom1, int atom2) = 0; |
| 150 |
|
|
| 151 |
+ |
virtual void unpackInteractionDataOMP(InteractionDataPrv &idat, int atom1, int atom2) = 0; |
| 152 |
+ |
|
| 153 |
|
virtual void fillSelfData(SelfData &sdat, int atom1); |
| 154 |
|
|
| 155 |
|
protected: |