| 564 |
|
* by SimCreator once and only once, since it is never changed |
| 565 |
|
* during the simulation. It shoudl be nGlobalAtoms_ in size. |
| 566 |
|
*/ |
| 567 |
< |
vector<int> globalMolMembership_; |
| 567 |
> |
vector<int> globalMolMembership_; |
| 568 |
> |
|
| 569 |
> |
/** |
| 570 |
> |
* A vector that maps between the local index of an atom and the |
| 571 |
> |
* index of the AtomType. |
| 572 |
> |
*/ |
| 573 |
> |
vector<int> identArray_; |
| 574 |
> |
vector<int> getIdentArray() { return identArray_; } |
| 575 |
> |
|
| 576 |
|
|
| 577 |
|
/// lists to handle atoms needing special treatment in the non-bonded interactions |
| 578 |
|
PairList excludedInteractions_; /**< atoms excluded from interacting with each other */ |
