[ViewVC] Diff of: OpenMD/trunk/src/flucq/FluctuatingChargePropagator.hpp

Comparing branches/development/src/flucq/FluctuatingChargePropagator.hpp (file contents):
Revision 1738 by gezelter, Thu May 31 12:25:30 2012 UTC vs.
Revision 1739 by gezelter, Tue Jun 5 17:58:55 2012 UTC

#	Line 43 \| Line 43
43		#ifndef INTEGRATORS_FLUCTUATINGCHARGEPROPAGATOR_HPP
44		#define INTEGRATORS_FLUCTUATINGCHARGEPROPAGATOR_HPP
45
46	–	#include "primitives/StuntDouble.hpp"
46		#include "brains/SimInfo.hpp"
47	+	#include "brains/ForceManager.hpp"
48	+	#include "flucq/FluctuatingChargeConstraints.hpp"
49
50		namespace OpenMD {
51
#	Line 54 \| Line 55 \| namespace OpenMD {
55		*/
56		class FluctuatingChargePropagator {
57		public:
58	<	FluctuatingChargePropagator(SimInfo* info) : info_(info), hasFlucQ_(false) {};
58	>	FluctuatingChargePropagator(SimInfo* info, ForceManager* forceMan);
59		virtual ~FluctuatingChargePropagator(){ }
60	<	virtual void initialize() = 0;
60	>	virtual void initialize();
61		virtual void updateSizes() = 0;
62		virtual void moveA() = 0;
63		virtual void applyConstraints();
64		virtual void moveB() = 0;
65
66		protected:
67	+	FluctuatingChargeParameters* fqParams_;
68	+	FluctuatingChargeConstraints* fqConstraints_;
69		SimInfo* info_;
70	+	ForceManager* forceMan_;
71		bool hasFlucQ_;
72	+
73		};
74		}
75		#endif

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