| # | Line 263 | Line 263 | namespace OpenMD { | |
|---|---|---|
| 263 | ||
| 264 | RealType dudr = *(idat.sw) * *(idat.vdwMult) * epsilon * (myDeriv - | |
| 265 | myDerivC)*sigmai; | |
| 266 | – | |
| 266 | (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; | |
| 267 | *(idat.f1) += *(idat.d) * dudr / *(idat.rij); | |
| 268 | ||
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