MorseInteractionType is one of the basic non-bonded interactions. More...

Inheritance diagram for OpenMD::MorseInteractionType:

Public Member Functions
	MorseInteractionType (RealType myD0, RealType myBeta0, RealType myR0, MorseType myType)

RealType	getD ()

RealType	getBeta ()

RealType	getR ()

MorseType	getInteractionType ()

Public Member Functions inherited from OpenMD::NonBondedInteractionType
void	setLennardJones ()

bool	isLennardJones ()

void	setMorse ()

bool	isMorse ()

void	setMAW ()

bool	isMAW ()

void	setEAMTable ()

bool	isEAMTable ()

void	setEAMZhou ()

bool	isEAMZhou ()

void	setEAMOxides ()

bool	isEAMOxides ()

bool	isSC ()

void	setSC ()

bool	isMetal ()

void	setRepulsivePower ()

bool	isRepulsivePower ()

void	setMie ()

bool	isMie ()

void	setBuckingham ()

bool	isBuckingham ()

void	setInversePowerSeries ()

bool	isInversePowerSeries ()

void	setAtomTypes (std::pair< AtomType , AtomType > ats)

std::pair< AtomType , AtomType >	getAtomTypes ()

void	addProperty (std::shared_ptr< GenericData > genData)
	Adds property into property map.

void	removeProperty (const std::string &propName)
	Removes property from PropertyMap by name.

std::vector< std::string >	getPropertyNames ()
	Returns all names of properties.

std::vector< std::shared_ptr< GenericData > >	getProperties ()
	Returns all of the properties in PropertyMap.

std::shared_ptr< GenericData >	getPropertyByName (const std::string &propName)
	Returns property.

Additional Inherited Members
Protected Attributes inherited from OpenMD::NonBondedInteractionType
NonBondedInteractionTypeProperties	nbitp

std::pair< AtomType , AtomType >	atomTypes_

Detailed Description

MorseInteractionType is one of the basic non-bonded interactions.

RepulsiveMorse:

\[ V = D_0 \exp(-2 * \beta_0 (r-r_0)) \]

ShiftedMorse:

\[ V = D_0 \exp(-\beta_0 (r - r_0)) * (\exp(-\beta_0 (r - r_0)) - 2) \]

Definition at line 67 of file MorseInteractionType.hpp.

Constructor & Destructor Documentation

OpenMD::MorseInteractionType::MorseInteractionType	(	RealType	myD0,
		RealType	myBeta0,
		RealType	myR0,
		MorseType	myType )

inline

Definition at line 69 of file MorseInteractionType.hpp.

RealType OpenMD::MorseInteractionType::getBeta ( )

inline

Definition at line 80 of file MorseInteractionType.hpp.

RealType OpenMD::MorseInteractionType::getD ( )

inline

Definition at line 78 of file MorseInteractionType.hpp.

MorseType OpenMD::MorseInteractionType::getInteractionType ( )

inline

Definition at line 84 of file MorseInteractionType.hpp.

RealType OpenMD::MorseInteractionType::getR ( )

inline

Definition at line 82 of file MorseInteractionType.hpp.

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