MPQC
3.0.0-alpha
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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 () |
Performs a Pipek-Mezey orbital localization.