sc::ParsedOrbitalSpaceKey Class Reference

Parses keys of OrbitalSpace. More...

#include <chemistry/qc/mbptr12/orbitalspace.h>

List of all members.

Public Member Functions
	ParsedOrbitalSpaceKey (const std::string &key)
	throws if key is not properly formatted
const std::string &	key () const
const std::string &	label () const
SpinCase1	spin () const
Static Public Member Functions
static std::string	key (const std::string &label, SpinCase1 spin)

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Detailed Description

Parses keys of OrbitalSpace.

Although OrbitalSpace object with arbitrary keys can be created, other components of MPQC assume certain rules for the keys. The simplest rule is that a key for a spin-polarized OrbitalSpace (i.e., that has spin-alpha and spin-beta variants) must encode the spin information. This class can encode and decode this information.

Another rule is how transformed OrbitalSpace objects are labeled.

See also:

ParsedTranformedOrbitalSpaceKey

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

• src/lib/chemistry/qc/mbptr12/orbitalspace.h