| # | Line 111 | Line 111 | namespace OpenMD { | |
|---|---|---|
| 111 | ||
| 112 | bool vdwExplicit = false; | |
| 113 | bool metExplicit = false; | |
| 114 | < | bool hbExplicit = false; |
| 114 | > | // bool hbExplicit = false; |
| 115 | ||
| 116 | key = make_pair(atype1, atype2); | |
| 117 | ||
| # | Line 304 | Line 304 | namespace OpenMD { | |
| 304 | eam_->setCutoffRadius(rcut); | |
| 305 | } | |
| 306 | ||
| 307 | – | void InteractionManager::setSwitchingRadius(RealType rswitch) { |
| 308 | – | electrostatic_->setSwitchingRadius(rswitch); |
| 309 | – | } |
| 310 | – | |
| 307 | void InteractionManager::doPrePair(InteractionData idat){ | |
| 308 | ||
| 309 | if (!initialized_) initialize(); | |
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| + | Added lines |
| < | Changed lines |
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