| 819 |  |  | 
| 820 |  | for (atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { | 
| 821 |  | GlobalAtomIndices[atom->getLocalIndex()] = atom->getGlobalIndex(); | 
| 822 | – | cerr << "LI = " << atom->getLocalIndex() << "GAI = " << GlobalAtomIndices[atom->getLocalIndex()] << "\n"; | 
| 822 |  | } | 
| 823 |  | } | 
| 824 |  | return GlobalAtomIndices; | 
| 840 |  | for (cg = mol->beginCutoffGroup(ci); cg != NULL; | 
| 841 |  | cg = mol->nextCutoffGroup(ci)) { | 
| 842 |  | GlobalGroupIndices.push_back(cg->getGlobalIndex()); | 
| 844 | – | cerr << "LI, GGI = " << GlobalGroupIndices.size() << " " << cg->getGlobalIndex() << "\n"; | 
| 843 |  | } | 
| 844 |  | } | 
| 845 |  | return GlobalGroupIndices; |