sc::PipekMezeyLocalization Class Reference

Performs a Pipek-Mezey orbital localization. More...

#include <chemistry/qc/lmp2/pop_local.h>

Public Member Functions
	PipekMezeyLocalization (const sc::Ref< sc::OneBodyWavefunction > &wfn, int nfzc, const sc::RefSymmSCMatrix &ao_overlap)
sc::RefSCMatrix	compute_orbitals ()
void	write_orbitals ()

Detailed Description

Performs a Pipek-Mezey orbital localization.

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

• src/lib/chemistry/qc/lmp2/pop_local.h