| 532 |
|
bool usesElectrostaticAtoms() { return usesElectrostaticAtoms_; } |
| 533 |
|
bool usesDirectionalAtoms() { return usesDirectionalAtoms_; } |
| 534 |
|
bool usesMetallicAtoms() { return usesMetallicAtoms_; } |
| 535 |
+ |
bool usesAtomicVirial() { return usesAtomicVirial_; } |
| 536 |
+ |
bool requiresPrepair() { return requiresPrepair_; } |
| 537 |
+ |
bool requiresSkipCorrection() { return requiresSkipCorrection_;} |
| 538 |
+ |
bool requiresSelfCorrection() { return requiresSelfCorrection_;} |
| 539 |
|
|
| 540 |
|
private: |
| 541 |
|
/// Data structures holding primary simulation objects |
| 561 |
|
* the simulation. It should be nGlobalAtoms_ in size. |
| 562 |
|
*/ |
| 563 |
|
vector<int> globalGroupMembership_; |
| 564 |
+ |
public: |
| 565 |
+ |
vector<int> getGlobalGroupMembership() { return globalGroupMembership_; } |
| 566 |
+ |
private: |
| 567 |
|
|
| 568 |
|
/** |
| 569 |
|
* A vector that maps between the global index of an atom and the |