sc::LSelectBasisSet Class Reference

The LSelectBasisSet class is used to select shells by angular momentum from a mother basis. More...

#include <chemistry/qc/basis/lselect.h>

Inheritance diagram for sc::LSelectBasisSet:

[legend]

List of all members.

Public Member Functions
	LSelectBasisSet (const Ref< KeyVal > &)
	The KeyVal constructor.
	LSelectBasisSet (const Ref< GaussianBasisSet > &)
	LSelect the given GaussianBasisSet object.
	LSelectBasisSet (StateIn &)
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

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Detailed Description

The LSelectBasisSet class is used to select shells by angular momentum from a mother basis.

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Constructor & Destructor Documentation

sc::LSelectBasisSet::LSelectBasisSet

(

const Ref< KeyVal > &

)

The KeyVal constructor.

It does not call the basis class KeyVal constructor.

basis

The gives the GaussianBasisSet object that will be used to form this basis set (the mother basis). This basis may be split (see SplitBasisSet), if necessary.

lmin

Shells of this angular momentum and higher will be used in this basis. Default is 0.

lmax

Shells of this angular momentum and lower will be used in this basis. Default is the maximum angular momentum of the mother basis.

l

This array specifies the angular momenta which will be used in this basis. If given, this keyword overrides lmin and lmax.

sc::LSelectBasisSet::LSelectBasisSet

(

const Ref< GaussianBasisSet > &

)

LSelect the given GaussianBasisSet object.

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Member Function Documentation

void sc::LSelectBasisSet::save_data_state

(

StateOut &

)

[virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data.

Reimplemented from sc::GaussianBasisSet.

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

• src/lib/chemistry/qc/basis/lselect.h