| # | Line 129 | Line 129 | namespace OpenMD { | |
|---|---|---|
| 129 | if (!initialized_) initialize(); | |
| 130 | ||
| 131 | map<pair<AtomType*, AtomType*>, MAWInteractionData>::iterator it; | |
| 132 | < | it = MixingMap.find( *(idat.atypes) ); |
| 132 | > | it = MixingMap.find( idat.atypes ); |
| 133 | if (it != MixingMap.end()) { | |
| 134 | MAWInteractionData mixer = (*it).second; | |
| 135 | ||
| # | Line 144 | Line 144 | namespace OpenMD { | |
| 144 | RealType ca1 = mixer.ca1; | |
| 145 | RealType cb1 = mixer.cb1; | |
| 146 | ||
| 147 | < | bool j_is_Metal = idat.atypes->second->isMetal(); |
| 147 | > | bool j_is_Metal = idat.atypes.second->isMetal(); |
| 148 | ||
| 149 | Vector3d r; | |
| 150 | RotMat3x3d Atrans; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |