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

Comparing trunk/src/flucq/FluctuatingChargeConstraints.cpp (file contents):
Revision 1920 by jmichalk, Wed Jul 31 19:30:46 2013 UTC vs.
Revision 1939 by gezelter, Thu Oct 31 18:18:57 2013 UTC

#	Line 40 \| Line 40
40		* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43	–	#include "FluctuatingChargeConstraints.hpp"
44	–	#include "primitives/Molecule.hpp"
45	–
43		#ifdef IS_MPI
44		#include <mpi.h>
45		#endif
46
47	+	#include "FluctuatingChargeConstraints.hpp"
48	+	#include "primitives/Molecule.hpp"
49	+
50		namespace OpenMD {
51
52		FluctuatingChargeConstraints::FluctuatingChargeConstraints(SimInfo* info) :
#	Line 152 \| Line 152 \| namespace OpenMD {
152
153		// do the same in the regions:
154		if (constrainRegions_) {
155	<	for (int i = 0; i < regionForce_.size(); ++i) {
155	>	for (unsigned int i = 0; i < regionForce_.size(); ++i) {
156		regionForce_[ i ] /= regionCharges_[ i ];
157		}
158		}

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