Reads 2-RDM from a text file. More...

Inheritance diagram for sc::ExternSpinFreeRDMTwo:

Public Member Functions
	ExternSpinFreeRDMTwo (const std::string &filename, const std::vector< unsigned int > &indexmap, const Ref< OrbitalSpace > &occ_orbs)
	this assumes that the file reports 2-rdm in the entire occupied space.
void	obsolete ()
	cannot be obsoleted
void	compute ()
	already computed
Ref< OrbitalSpace >	orbs () const
	the orbital space of spincase s in which the density is reported
RefSymmSCMatrix	scmat () const
	density matrix
const Ref< DistArray4 > &	da4 () const
	density matrix in DistArray4 format
Ref< SpinFreeRDM< One > >	rdm_m_1 () const
	RDM of rank decreased by 1.

Detailed Description

Reads 2-RDM from a text file.

Constructor & Destructor Documentation

sc::ExternSpinFreeRDMTwo::ExternSpinFreeRDMTwo	(	const std::string &	filename,
		const std::vector< unsigned int > &	indexmap,
		const Ref< OrbitalSpace > &	occ_orbs
	)

this assumes that the file reports 2-rdm in the entire occupied space.

act_occ_indexmap maps the indices assumed in the file to occupied MPQC orbs

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