OpenMD::Sticky Class Reference

Inheritance diagram for OpenMD::Sticky:

Public Member Functions
void	setForceField (ForceField *ff)
void	setSimulatedAtomTypes (AtomTypeSet &simtypes)
void	addType (AtomType *atomType)
virtual void	calcForce (InteractionData &idat)
	This function does the sticky portion of the SSD potential [Chandra and Ichiye, Journal of Chemical Physics 111, 2701 (1999)].
virtual string	getName ()
virtual int	getHash ()
virtual RealType	getSuggestedCutoffRadius (pair< AtomType *, AtomType * > atypes)
Public Member Functions inherited from OpenMD::HydrogenBondingInteraction
virtual InteractionFamily	getFamily ()

Detailed Description

Definition at line 71 of file Sticky.hpp.

Constructor & Destructor Documentation

Sticky()

OpenMD::Sticky::Sticky

(

)

Definition at line 58 of file Sticky.cpp.

Member Function Documentation

addType()

void OpenMD::Sticky::addType

(

AtomType *

atomType

)

Definition at line 84 of file Sticky.cpp.

calcForce()

void OpenMD::Sticky::calcForce ( InteractionData & idat )

virtual

This function does the sticky portion of the SSD potential [Chandra and Ichiye, Journal of Chemical Physics 111, 2701 (1999)].

The Lennard-Jones and dipolar interaction must be handled separately. We assume that the rotation matrices have already been calculated and placed in the A1 & A2 entries in the idat structure.

Implements OpenMD::NonBondedInteraction.

Definition at line 156 of file Sticky.cpp.

References OpenMD::InteractionData::A1, OpenMD::InteractionData::A2, OpenMD::InteractionData::atid1, OpenMD::InteractionData::atid2, OpenMD::InteractionData::d, OpenMD::InteractionData::f1, OpenMD::HYDROGENBONDING_FAMILY, OpenMD::InteractionData::isSelected, OpenMD::InteractionData::pot, OpenMD::InteractionData::r2, OpenMD::InteractionData::rij, OpenMD::InteractionData::selePot, OpenMD::InteractionData::sw, OpenMD::InteractionData::t1, OpenMD::InteractionData::t2, OpenMD::InteractionData::vpair, OpenMD::Vector3< Real >::x(), OpenMD::Vector3< Real >::y(), and OpenMD::Vector3< Real >::z().

getHash()

virtual int OpenMD::Sticky::getHash ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 82 of file Sticky.hpp.

getName()

virtual string OpenMD::Sticky::getName ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 81 of file Sticky.hpp.

getSuggestedCutoffRadius()

RealType OpenMD::Sticky::getSuggestedCutoffRadius ( pair< AtomType *, AtomType * > atypes )

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 334 of file Sticky.cpp.

setForceField()

void OpenMD::Sticky::setForceField ( ForceField * ff )

inline

Definition at line 74 of file Sticky.hpp.

setSimulatedAtomTypes()

void OpenMD::Sticky::setSimulatedAtomTypes ( AtomTypeSet & simtypes )

inline

Definition at line 75 of file Sticky.hpp.

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The documentation for this class was generated from the following files:

• nonbonded/Sticky.hpp
• nonbonded/Sticky.cpp