[ViewVC] Diff of: OpenMD/trunk/src/constraints/ConstraintPair.hpp

Comparing trunk/src/constraints/ConstraintPair.hpp (file contents):
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
Revision 1979 by gezelter, Sat Apr 5 20:56:01 2014 UTC

#	Line 35 \| Line 35
35		*
36		* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	<	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4] Vardeman & Gezelter, in progress (2009).
38	>	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	>	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40	>	* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43
#	Line 56 \| Line 57 \| namespace OpenMD {
57
58		public:
59
60	<	ConstraintPair(ConstraintElem* elem1, ConstraintElem* elem2, RealType len)
61	<	: consElem1_(elem1), consElem2_(elem2), dist2(len*len) { }
60	>	ConstraintPair(ConstraintElem* elem1, ConstraintElem* elem2,
61	>	RealType len, bool printForce)
62	>	: consElem1_(elem1), consElem2_(elem2), dist2(len*len),
63	>	printForce_(printForce) { }
64
65		~ConstraintPair() {
66		delete consElem1_;
#	Line 71 \| Line 74 \| namespace OpenMD {
74
75		bool isMoved() { return consElem1_->getMoved() \|\| consElem2_->getMoved(); }
76		RealType getConsDistSquare() {return dist2;}
77	+	void setConstraintForce(RealType frc) { force_ = frc; }
78	+	RealType getConstraintForce() { return force_; }
79	+	bool getPrintForce() {return printForce_;}
80
81		private:
82
83		ConstraintElem* consElem1_;
84		ConstraintElem* consElem2_;
85		RealType dist2;
86	+	RealType force_;
87	+	bool printForce_;
88		};
89
90		}

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