| # | Line 60 | Line 60 | namespace OpenMD { | |
|---|---|---|
| 60 | ||
| 61 | Globals* simParams = info_->getSimParams(); | |
| 62 | fqParams_ = simParams->getFluctuatingChargeParameters(); | |
| 63 | – | |
| 63 | } | |
| 64 | ||
| 65 | void FluctuatingChargePropagator::setForceManager(ForceManager* forceMan) { | |
| # | Line 102 | Line 101 | namespace OpenMD { | |
| 101 | DumpStatusFunction dsf(info_); // we want a dump file written every iteration | |
| 102 | ||
| 103 | minim->minimize(problem, endCriteria); | |
| 105 | – | |
| 104 | } | |
| 105 | ||
| 106 | void FluctuatingChargePropagator::applyConstraints() { | |
| 107 | if (!hasFlucQ_) return; | |
| 110 | – | |
| 108 | fqConstraints_->applyConstraints(); | |
| 109 | } | |
| 110 | } | |
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