semi_canonicalize.h File Reference
#include "mpqc/chemistry/qc/lcao/mbpt/pno/math_functions.h"
#include "mpqc/math/external/eigen/eigen.h"
#include <iostream>
#include <utility>
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Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::lcao
 
 mpqc::lcao::pno
 

Functions

std::pair< RowMatrixXd, Eigen::VectorXd > mpqc::lcao::pno::semi_canonicalize (RowMatrixXd &F)
 
std::pair< RowMatrixXd, Eigen::VectorXd > mpqc::lcao::pno::general_semi_canonicalize (RowMatrixXd const &F, RowMatrixXd &S, double sc_thresh)