--- branches/development/src/flucq/FluctuatingChargePropagator.cpp 2012/06/22 20:01:37 1761 +++ branches/development/src/flucq/FluctuatingChargePropagator.cpp 2012/07/07 03:59:27 1768 @@ -48,8 +48,6 @@ #include "optimization/StatusFunction.hpp" #include "optimization/OptimizationFactory.hpp" - - #ifdef IS_MPI #include #endif @@ -62,7 +60,6 @@ namespace OpenMD { Globals* simParams = info_->getSimParams(); fqParams_ = simParams->getFluctuatingChargeParameters(); - } void FluctuatingChargePropagator::setForceManager(ForceManager* forceMan) { @@ -104,12 +101,10 @@ namespace OpenMD { DumpStatusFunction dsf(info_); // we want a dump file written every iteration minim->minimize(problem, endCriteria); - } void FluctuatingChargePropagator::applyConstraints() { if (!hasFlucQ_) return; - fqConstraints_->applyConstraints(); } }