| 306 |
|
|
| 307 |
|
if (!initialized_) initialize(); |
| 308 |
|
|
| 309 |
< |
SCInteractionData mixer = MixingMap[ *(idat.atypes) ]; |
| 309 |
> |
SCInteractionData mixer = MixingMap[ idat.atypes ]; |
| 310 |
|
|
| 311 |
|
RealType rcij = mixer.rCut; |
| 312 |
|
|
| 338 |
|
|
| 339 |
|
if (!initialized_) initialize(); |
| 340 |
|
|
| 341 |
< |
SCAtomData data1 = SCMap[idat.atypes->first]; |
| 342 |
< |
SCAtomData data2 = SCMap[idat.atypes->second]; |
| 341 |
> |
SCAtomData data1 = SCMap[idat.atypes.first]; |
| 342 |
> |
SCAtomData data2 = SCMap[idat.atypes.second]; |
| 343 |
|
|
| 344 |
< |
SCInteractionData mixer = MixingMap[*(idat.atypes)]; |
| 344 |
> |
SCInteractionData mixer = MixingMap[idat.atypes]; |
| 345 |
|
|
| 346 |
|
RealType rcij = mixer.rCut; |
| 347 |
|
|