| 109 |
|
virtual potVec* getEmbeddingPotential() { return &embeddingPot; } |
| 110 |
|
virtual potVec* getPairwisePotential() { return &pairwisePot; } |
| 111 |
|
virtual potVec* getExcludedPotential() { return &excludedPot; } |
| 112 |
+ |
virtual potVec* getExcludedSelfPotential() { return &excludedSelfPot; } |
| 113 |
|
|
| 114 |
|
// neighbor list routines |
| 115 |
|
virtual bool checkNeighborList(); |
| 171 |
|
potVec pairwisePot; |
| 172 |
|
potVec embeddingPot; |
| 173 |
|
potVec excludedPot; |
| 174 |
+ |
potVec excludedSelfPot; |
| 175 |
|
|
| 176 |
|
/** |
| 177 |
|
* The topological distance between two atomic sites is handled |