[ViewVC] Diff of: OpenMD/branches/development/src/minimizers/Minimizer.cpp

Comparing:
trunk/src/minimizers/Minimizer.cpp (file contents), Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
branches/development/src/minimizers/Minimizer.cpp (file contents), Revision 1627 by gezelter, Tue Sep 13 22:05:04 2011 UTC

#	Line 45 \| Line 45
45		#include "io/StatWriter.hpp"
46		#include "minimizers/Minimizer.hpp"
47		#include "primitives/Molecule.hpp"
48	+	#ifdef IS_MPI
49	+	#include <mpi.h>
50	+	#endif
51		namespace OpenMD {
52		RealType dotProduct(const std::vector<RealType>& v1, const std::vector<RealType>& v2) {
53		if (v1.size() != v2.size()) {
#	Line 902 \| Line 905 \| namespace OpenMD {
905
906
907		RealType Minimizer::calcPotential() {
908	<	forceMan->calcForces(true, false);
908	>	forceMan->calcForces();
909
910		Snapshot* curSnapshot = info->getSnapshotManager()->getCurrentSnapshot();
911		RealType potential_local = curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] +

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