| # | Line 48 | Line 48 | class SimInfo{ (public) | |
|---|---|---|
| 48 | // no long range forces. | |
| 49 | ||
| 50 | int* identArray; // array of unique identifiers for the atoms | |
| 51 | + | int* molMembershipArray; // map of atom numbers onto molecule numbers |
| 52 | ||
| 53 | int n_constraints; // the number of constraints on the system | |
| 54 | ||
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