[ViewVC] Diff of: OpenMD/trunk/src/parallel/ForceDecomposition.cpp

Comparing branches/development/src/parallel/ForceDecomposition.cpp (file contents):
Revision 1572 by gezelter, Sun May 29 01:49:17 2011 UTC vs.
Revision 1579 by gezelter, Thu Jun 9 20:26:29 2011 UTC

#	Line 47 \| Line 47 \| namespace OpenMD {
47		using namespace std;
48		namespace OpenMD {
49
50	<	ForceDecomposition::ForceDecomposition(SimInfo* info) : info_(info) {
50	>	ForceDecomposition::ForceDecomposition(SimInfo* info, InteractionManager* iMan) : info_(info), interactionMan_(iMan) {
51		sman_ = info_->getSnapshotManager();
52		storageLayout_ = sman_->getStorageLayout();
53		ff_ = info_->getForceField();
54	+	userChoseCutoff_ = false;
55
56		Globals* simParams_ = info_->getSimParams();
57
#	Line 109 \| Line 110 \| namespace OpenMD {
110		sdat.dfrhodrho = &(snap_->atomData.functionalDerivative[atom1]);
111		}
112
113	+	if (storageLayout_ & DataStorage::dslParticlePot) {
114	+	sdat.particlePot = &(snap_->atomData.particlePot[atom1]);
115	+	}
116	+
117		return sdat;
118		}
119

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