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 |