Generators

Detailed Description

Classes that generate random initial configurations.

Classes
class	McMd::Generator
	Generates initial configurations for molecules of one species. More...
class	McMd::LinearGenerator
	Generates random configurations for linear molecules. More...
class	McMd::PointGenerator
	Generator for monoatomic molecules (atoms). More...

Functions
Generator *	McMd::generatorFactory (Species &species, McSystem &system)
	Instantiates generator for on species in an McSystem. More...
Generator *	McMd::generatorFactory (Species &species, MdSystem &system)
	Instantiates generator for on species in an MdSystem. More...

Function Documentation

Generator * McMd::generatorFactory	(	Species &	species,
		McSystem &	system
	)

Instantiates generator for on species in an McSystem.

Returns a pointer to the new generator, or null if no appropriate generator is found.

Parameters

species	Species object
system	parent McSystem

Definition at line 26 of file generatorFactory.cpp.

References McMd::McSystem::bondPotential(), and McMd::Generator::setBondPotential().

Referenced by McMd::McSystem::generateMolecules(), and McMd::MdSystem::generateMolecules().

Generator * McMd::generatorFactory	(	Species &	species,
		MdSystem &	system
	)

Instantiates generator for on species in an MdSystem.

Returns a pointer to the new generator, or null if no appropriate generator is found.

Parameters

species	Species object
system	parent McSystem

Definition at line 42 of file generatorFactory.cpp.

References McMd::MdSystem::bondPotential(), and McMd::Generator::setBondPotential().