| # | Line 221 | Line 221 | namespace OpenMD { | |
|---|---|---|
| 221 | ||
| 222 | RealType pot_temp = *(idat.vdwMult) * Vmorse * Vang; | |
| 223 | *(idat.vpair) += pot_temp; | |
| 224 | < | idat.pot[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; |
| 224 | > | (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; |
| 225 | ||
| 226 | Vector3d dVmorsedr = (myDeriv - myDerivC) * Vector3d(x, y, z) / *(idat.rij) ; | |
| 227 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |