| # | Line 160 | Line 160 | namespace OpenMD { | |
|---|---|---|
| 160 | myDerivC = 0.0; | |
| 161 | } else if (idat.shiftedForce) { | |
| 162 | myPotC = De * (expfnc2C - 2.0 * expfncC); | |
| 163 | < | myDerivC = 2.0 * De * beta * (expfnc2C - expfnc2C); |
| 163 | > | myDerivC = 2.0 * De * beta * (expfncC - expfnc2C); |
| 164 | myPotC += myDerivC * ( *(idat.rij) - *(idat.rcut) ); | |
| 165 | } else { | |
| 166 | myPotC = 0.0; | |
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| + | Added lines |
| < | Changed lines |
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