The Generator class provides functions to generate crystal structures, initial velocities, etc. for a MoleculeSystem. More...

#include <generator.h>

Public Member Functions
	Generator ()

vector< Atom * >	generateFcc (double sideLength, int nCells, AtomType atomType)
	Generator::generateFcc. More...

void	boltzmannDistributeVelocities (double temperature, const vector< Atom * > &atoms)
	Generator::boltzmannDistributeVelocities. More...

void	uniformDistributeVelocities (double maxVelocity, vector< Atom * > atoms)

const mat &	lastBoundaries () const

void	setNCells (int nCells)

void	setB (double b)

void	setIdCounter (int idCounter)

int	idCounter ()

void	removeLinearMomentum (const vector< Atom * > &atoms)

Detailed Description

The Generator class provides functions to generate crystal structures, initial velocities, etc. for a MoleculeSystem.

Constructor & Destructor Documentation

Generator::Generator ( )

void Generator::boltzmannDistributeVelocities	(	double	temperature,
		const vector< Atom * > &	atoms
	)

Parameters

temperature	unitless temperature
atoms	a vector of atoms to apply the Boltzmann distribution of velocities on.

Note: The Boltzmann constant should have been baked into the unitless temperature.

vector< Atom * > Generator::generateFcc	(	double	sideLength,
		int	nCells,
		AtomType	atomType
	)

Parameters

b
nCells
atomType	All molecules start out with displacement zero.

int Generator::idCounter ( )

inline

const mat & Generator::lastBoundaries ( ) const

void Generator::removeLinearMomentum ( const vector< Atom * > & atoms)

void Generator::setB ( double b)

void Generator::setIdCounter ( int idCounter)

inline

void Generator::setNCells ( int nCells)

void Generator::uniformDistributeVelocities	(	double	maxVelocity,
		vector< Atom * >	atoms
	)

int Generator::m_idCounter

protected

mat Generator::m_lastBoundaries

protected

int Generator::m_nDimensions

protected

double Generator::m_unitLength

protected

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