| # | Line 454 | Line 454 | namespace OpenMD { | |
|---|---|---|
| 454 | if (!hasPotentialEnergy) { | |
| 455 | frameData.potentialEnergy = this->getLongRangePotential(); | |
| 456 | frameData.potentialEnergy += this->getShortRangePotential(); | |
| 457 | + | frameData.potentialEnergy += this->getRestraintPotential(); |
| 458 | hasPotentialEnergy = true; | |
| 459 | } | |
| 460 | return frameData.potentialEnergy; | |
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