| 165 |
|
unsigned int getNAtoms() { |
| 166 |
|
return nAtoms_; |
| 167 |
|
} |
| 168 |
+ |
|
| 169 |
+ |
/** Returns the number of effective cutoff groups on local processor */ |
| 170 |
+ |
unsigned int getNLocalCutoffGroups(); |
| 171 |
|
|
| 172 |
|
/** Returns the number of local bonds */ |
| 173 |
|
unsigned int getNBonds(){ |
| 602 |
|
public: |
| 603 |
|
vector<RealType> getMassFactors() { return massFactors_; } |
| 604 |
|
|
| 605 |
< |
PairList getExcludedInteractions() { return excludedInteractions_; } |
| 606 |
< |
PairList getOneTwoInteractions() { return oneTwoInteractions_; } |
| 607 |
< |
PairList getOneThreeInteractions() { return oneThreeInteractions_; } |
| 608 |
< |
PairList getOneFourInteractions() { return oneFourInteractions_; } |
| 605 |
> |
PairList* getExcludedInteractions() { return &excludedInteractions_; } |
| 606 |
> |
PairList* getOneTwoInteractions() { return &oneTwoInteractions_; } |
| 607 |
> |
PairList* getOneThreeInteractions() { return &oneThreeInteractions_; } |
| 608 |
> |
PairList* getOneFourInteractions() { return &oneFourInteractions_; } |
| 609 |
|
|
| 610 |
|
private: |
| 608 |
– |
|
| 611 |
|
|
| 612 |
|
/// lists to handle atoms needing special treatment in the non-bonded interactions |
| 613 |
|
PairList excludedInteractions_; /**< atoms excluded from interacting with each other */ |
