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

Comparing trunk/src/flucq/FluctuatingChargeObjectiveFunction.cpp (file contents):
Revision 1926 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1927 by gezelter, Wed Aug 14 20:19:19 2013 UTC

#	Line 54 \| Line 54 \| namespace OpenMD{
54		forceMan_->calcForces();
55
56		Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
57	<	potVec pot = curSnapshot->getLongRangePotentials();
57	>	//potVec pot = curSnapshot->getLongRangePotentials();
58	>	RealType lrPot = curSnapshot->getLongRangePotential();
59		potVec exPot = curSnapshot->getExcludedPotentials();
60
61	<	return pot[ELECTROSTATIC_FAMILY] + exPot[ELECTROSTATIC_FAMILY];
61	>	//return pot[ELECTROSTATIC_FAMILY] + exPot[ELECTROSTATIC_FAMILY];
62	>	return lrPot + exPot[ELECTROSTATIC_FAMILY];
63		}
64
65		void FluctuatingChargeObjectiveFunction::gradient(DynamicVector<RealType>& grad, const DynamicVector<RealType>& x) {

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