Uses of Interface
org.openscience.cdk.math.qm.IBasis

Packages that use IBasis

Package	Description
org.openscience.cdk.math.qm

Uses of IBasis in org.openscience.cdk.math.qm

Classes in org.openscience.cdk.math.qm that implement IBasis

Modifier and Type	Class and Description
class	FourierGridBasis At this time this class does not work correcly.
class	GaussiansBasis This class contains the information to use gauss function as a base for calculation of quantum mechanics.
class	SimpleBasisSet This class will generate a simple base set for a atom container.

Methods in org.openscience.cdk.math.qm that return IBasis

Modifier and Type	Method and Description
IBasis	Orbitals.getBasis() Returns the basis set of this orbitals

Constructors in org.openscience.cdk.math.qm with parameters of type IBasis

Constructor and Description
Orbitals(IBasis basis) Constructs orbitals with a specified base set
Orbitals(IBasis basis, Matrix C) Constructs orbitals with a specified base set and a coefficient matrix