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Molecular Dynamics in the Open
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GhostBend.hpp
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* modification, are permitted provided that the following conditions are met:
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* this list of conditions and the following disclaimer.
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* work. Good starting points are:
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*
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
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* [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
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* [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
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* [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
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* [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
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* [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
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*/
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/**
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* @file GhostBend.hpp
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* @author tlin
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* @date 11/01/2004
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* @version 1.0
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*/
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#ifndef PRIMITIVES_GHOSTBEND_HPP
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#define PRIMITIVES_GHOSTBEND_HPP
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#include "
primitives/Bend.hpp
"
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#include "
primitives/DirectionalAtom.hpp
"
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namespace
OpenMD
{
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class
GhostBend
:
public
Bend
{
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public
:
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GhostBend
(
Atom
* atom1,
DirectionalAtom
* ghostAtom,
BendType
* bt) :
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Bend
(atom1, ghostAtom, ghostAtom, bt) {}
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virtual
void
calcForce
(RealType& angle,
bool
doParticlePot);
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};
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}
// namespace OpenMD
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#endif
// PRIMITIVES_GHOSTBEND_HPP
Bend.hpp
DirectionalAtom.hpp
OpenMD::Atom
Definition
Atom.hpp:59
OpenMD::Bend
Definition
StretchBend.hpp:63
OpenMD::BendType
Definition
BendType.hpp:62
OpenMD::DirectionalAtom
Definition
DirectionalAtom.hpp:59
OpenMD::GhostBend
Definition
GhostBend.hpp:60
OpenMD::GhostBend::calcForce
virtual void calcForce(RealType &angle, bool doParticlePot)
Definition
GhostBend.cpp:57
OpenMD
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
Definition
ActionCorrFunc.cpp:60
primitives
GhostBend.hpp
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