UreyBradleyBend.hpp

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 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 */
 
/**
 * @file UreyBradleyBend.hpp
 * @author    tlin
 * @date  11/01/2004
 * @version 1.0
 */
 
#ifndef PRIMITIVES_UREYBRADLEYBEND_HPP
#define PRIMITIVES_UREYBRADLEYBEND_HPP
 
#include "primitives/Bend.hpp"
#include "primitives/Bond.hpp"
#include "types/UreyBradleyBendType.hpp"
 
namespace OpenMD {
 
  class UreyBradleyBend : public Bend {
  public:
    UreyBradleyBend(Atom* atom1, Atom* atom2, Atom* atom3,
                    UreyBradleyBendType* bt);
    virtual ~UreyBradleyBend();
    virtual void calcForce(RealType& angle, bool doParticlePot);
 
  protected:
    virtual UreyBradleyBendType* getUreyBradleyBendType() {
      return static_cast<UreyBradleyBendType*>(bendType_);
    }
 
  private:
    Bond* bond_;
  };
}  // namespace OpenMD
 
#endif  // PRIMITIVES_UREYBRADLEYBEND_HPP