[ViewVC] Diff of: OpenMD/trunk/src/flucq/FluctuatingChargePropagator.cpp

Comparing trunk/src/flucq/FluctuatingChargePropagator.cpp (file contents):
Revision 1913 by jmichalk, Wed Jul 24 20:00:51 2013 UTC vs.
Revision 1921 by gezelter, Thu Aug 1 18:23:07 2013 UTC

#	Line 60 \| Line 60 \| namespace OpenMD {
60
61		Globals* simParams = info_->getSimParams();
62		fqParams_ = simParams->getFluctuatingChargeParameters();
63	–	fqConstraints_ = new FluctuatingChargeConstraints(info_);
64	–	fqConstraints_->setConstrainRegions( fqParams_->getConstrainRegions() );
63		}
64
65		FluctuatingChargePropagator::~FluctuatingChargePropagator() {
68	–	if (fqConstraints_ != NULL) delete fqConstraints_;
66		}
67
68		void FluctuatingChargePropagator::setForceManager(ForceManager* forceMan) {
#	Line 76 \| Line 73 \| namespace OpenMD {
73		if (info_->usesFluctuatingCharges()) {
74		if (info_->getNFluctuatingCharges() > 0) {
75		hasFlucQ_ = true;
76	+	fqConstraints_ = new FluctuatingChargeConstraints(info_);
77	+	fqConstraints_->setConstrainRegions(fqParams_->getConstrainRegions());
78		}
79		}
80

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