| # | Line 214 | Line 214 | namespace OpenMD { | |
|---|---|---|
| 214 | } | |
| 215 | } | |
| 216 | ||
| 217 | + | |
| 218 | RealType pot_temp = *(idat.vdwMult) * (myPot - myPotC); | |
| 219 | *(idat.vpair) += pot_temp; | |
| 220 | ||
| 221 | RealType dudr = *(idat.sw) * *(idat.vdwMult) * (myDeriv - myDerivC); | |
| 222 | + | |
| 223 | ||
| 224 | (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; | |
| 225 | *(idat.f1) = *(idat.d) * dudr / *(idat.rij); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |