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

Comparing branches/development/src/parallel/ForceDecomposition.cpp (file contents):
Revision 1544 by gezelter, Fri Mar 18 19:31:52 2011 UTC vs.
Revision 1547 by gezelter, Mon Apr 11 18:44:16 2011 UTC

#	Line 85 \| Line 85 \| namespace OpenMD {
85		vector<RealType> pot_local(N_INTERACTION_FAMILIES, 0.0);
86
87		// gather the information for atomtype IDs (atids):
88	<	AtomCommIntI->gather(info_->getIdentArray(), identsRow);
89	<	AtomCommIntJ->gather(info_->getIdentArray(), identsCol);
88	>	vector<int> identsLocal = info_->getIdentArray();
89	>	identsRow.reserve(nAtomsInRow);
90	>	identsCol.reserve(nAtomsInCol);
91
92	+	AtomCommIntI->gather(identsLocal, identsRow);
93	+	AtomCommIntJ->gather(identsLocal, identsCol);
94	+
95		AtomLocalToGlobal = info_->getLocalToGlobalAtomIndex();
96		AtomCommIntI->gather(AtomLocalToGlobal, AtomRowToGlobal);
97		AtomCommIntJ->gather(AtomLocalToGlobal, AtomColToGlobal);
#	Line 96 \| Line 100 \| namespace OpenMD {
100		cgCommIntI->gather(cgLocalToGlobal, cgRowToGlobal);
101		cgCommIntJ->gather(cgLocalToGlobal, cgColToGlobal);
102
103	<
100	<
103	>
104
102	–
103	–
105		// still need:
106		// topoDist
107		// exclude

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