cct.siesta
Interface SiestaInterface

All Known Implementing Classes:

SiestaInput

public interface SiestaInterface

Title: Computational Chemistry Tookit

Description:

Copyright: Copyright (c) 2005-2008 Dr. Vladislav Vassiliev

Company: ANU

Field Summary

static java.lang.String	SIESTA_INTERFACE
static java.lang.String	SIESTA_SPECIES_LABEL
static java.lang.String	SIESTA_SPECIES_NUMBER

Method Summary

java.util.HashMap<java.lang.Integer,ChemicalSpeciesLabel>	getChemicalSpeciesLabels()
java.util.ArrayList<java.lang.String>	getOtherOptions()
java.lang.String	getSystemLabel()

Field Detail

SIESTA_INTERFACE

static final java.lang.String SIESTA_INTERFACE

See Also:

Constant Field Values

SIESTA_SPECIES_LABEL

static final java.lang.String SIESTA_SPECIES_LABEL

See Also:

Constant Field Values

SIESTA_SPECIES_NUMBER

static final java.lang.String SIESTA_SPECIES_NUMBER

See Also:

Constant Field Values

Method Detail

getChemicalSpeciesLabels

java.util.HashMap<java.lang.Integer,ChemicalSpeciesLabel> getChemicalSpeciesLabels()

getOtherOptions

java.util.ArrayList<java.lang.String> getOtherOptions()

getSystemLabel

java.lang.String getSystemLabel()