| # | Line 242 | Line 242 | namespace OpenMD { | |
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| 242 | void LJ::calcForce(InteractionData &idat) { | |
| 243 | ||
| 244 | if (!initialized_) initialize(); | |
| 245 | < | |
| 245 | > | |
| 246 | map<pair<AtomType*, AtomType*>, LJInteractionData>::iterator it; | |
| 247 | it = MixingMap.find( idat.atypes ); | |
| 248 | ||
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