MPQC  3.0.0-alpha
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.


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

Generated at Sun Jan 26 2020 23:24:09 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.