| # | Line 219 | Line 219 | namespace OpenMD { | |
|---|---|---|
| 219 | RealType Vang = ca1 * x2 / idat.r2 + cb1 * z / idat.rij + (0.8 - ca1 / 3.0); | |
| 220 | ||
| 221 | RealType pot_temp = idat.vdwMult * Vmorse * Vang; | |
| 222 | < | idat.vpair[0] += pot_temp; |
| 222 | > | idat.vpair += pot_temp; |
| 223 | idat.pot[0] += idat.sw * pot_temp; | |
| 224 | ||
| 225 | Vector3d dVmorsedr = (myDeriv - myDerivC) * Vector3d(x, y, z) / idat.rij; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |