| # | Line 174 | Line 174 | namespace OpenMD { | |
|---|---|---|
| 174 | myDerivC = 0.0; | |
| 175 | } else if (idat.shiftedForce) { | |
| 176 | myPotC = D_e * (expfnc2C - 2.0 * expfncC); | |
| 177 | < | myDerivC = 2.0 * D_e * beta * (expfnc2C - expfnc2C); |
| 177 | > | myDerivC = 2.0 * D_e * beta * (expfncC - expfnc2C); |
| 178 | myPotC += myDerivC * ( *(idat.rij) - *(idat.rcut) ); | |
| 179 | } else { | |
| 180 | myPotC = 0.0; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |