OpenMD 3.0
Molecular Dynamics in the Open
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UreyBradleyBend.hpp
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43 */
44
45/**
46 * @file UreyBradleyBend.hpp
47 * @author tlin
48 * @date 11/01/2004
49 * @version 1.0
50 */
51
52#ifndef PRIMITIVES_UREYBRADLEYBEND_HPP
53#define PRIMITIVES_UREYBRADLEYBEND_HPP
54
55#include "primitives/Bend.hpp"
56#include "primitives/Bond.hpp"
58
59namespace OpenMD {
60
61 class UreyBradleyBend : public Bend {
62 public:
63 UreyBradleyBend(Atom* atom1, Atom* atom2, Atom* atom3,
65 virtual ~UreyBradleyBend();
66 virtual void calcForce(RealType& angle, bool doParticlePot);
67
68 protected:
69 virtual UreyBradleyBendType* getUreyBradleyBendType() {
70 return static_cast<UreyBradleyBendType*>(bendType_);
71 }
72
73 private:
74 Bond* bond_;
75 };
76} // namespace OpenMD
77
78#endif // PRIMITIVES_UREYBRADLEYBEND_HPP
BendType * bendType_
bend type
Definition Bend.hpp:129
virtual void calcForce(RealType &angle, bool doParticlePot)
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.