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

Comparing branches/development/src/parallel/ForceMatrixDecomposition.cpp (file contents):
Revision 1760 by gezelter, Thu Jun 21 19:26:46 2012 UTC vs.
Revision 1761 by gezelter, Fri Jun 22 20:01:37 2012 UTC

#	Line 488 \| Line 488 \| namespace OpenMD {
488		pairwisePot = 0.0;
489		embeddingPot = 0.0;
490		excludedPot = 0.0;
491	+	excludedSelfPot = 0.0;
492
493		#ifdef IS_MPI
494		if (storageLayout_ & DataStorage::dslForce) {
#	Line 907 \| Line 908 \| namespace OpenMD {
908		MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM);
909		embeddingPot[ii] = ploc2;
910		}
911	+	for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) {
912	+	RealType ploc1 = excludedSelfPot[ii];
913	+	RealType ploc2 = 0.0;
914	+	MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM);
915	+	excludedSelfPot[ii] = ploc2;
916	+	}
917		#endif
918
919		}

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