| # | Line 60 | Line 60 | namespace OpenMD { | |
|---|---|---|
| 60 | } | |
| 61 | ||
| 62 | void InteractionManager::initialize() { | |
| 63 | < | |
| 63 | > | |
| 64 | > | if (initialized_) return; |
| 65 | > | |
| 66 | ForceField* forceField_ = info_->getForceField(); | |
| 67 | ||
| 68 | lj_->setForceField(forceField_); | |
| # | Line 379 | Line 381 | namespace OpenMD { | |
| 381 | ||
| 382 | RealType InteractionManager::getSuggestedCutoffRadius(int *atid) { | |
| 383 | if (!initialized_) initialize(); | |
| 384 | < | |
| 384 | > | |
| 385 | AtomType* atype = typeMap_[*atid]; | |
| 386 | ||
| 387 | pair<AtomType*, AtomType*> key = make_pair(atype, atype); | |
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