--- trunk/src/flucq/FluctuatingChargePropagator.cpp 2014/04/14 18:32:51 1981 +++ trunk/src/flucq/FluctuatingChargePropagator.cpp 2015/03/07 21:41:51 2071 @@ -56,7 +56,7 @@ namespace OpenMD { namespace OpenMD { FluctuatingChargePropagator::FluctuatingChargePropagator(SimInfo* info) : - info_(info), hasFlucQ_(false), forceMan_(NULL), initialized_(false) { + info_(info), forceMan_(NULL), hasFlucQ_(false), initialized_(false) { Globals* simParams = info_->getSimParams(); fqParams_ = simParams->getFluctuatingChargeParameters(); @@ -83,11 +83,11 @@ namespace OpenMD { return; } - SimInfo::MoleculeIterator i; - Molecule::FluctuatingChargeIterator j; - Molecule* mol; - Atom* atom; - + // SimInfo::MoleculeIterator i; + // Molecule::FluctuatingChargeIterator j; + // Molecule* mol; + // Atom* atom; + // // For single-minima flucq, this ensures a net neutral system, but // for multiple minima, this is no longer the right thing to do: //