conditioned_orthogonalizer.h File Reference
#include "mpqc/math/external/eigen/eigen.h"
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include "mpqc/math/tensor/clr/array_to_eigen.h"
Include dependency graph for conditioned_orthogonalizer.h:
This graph shows which files directly or indirectly include this file:
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::math | |
Functions | |
template<typename T > | |
std::tuple< RowMatrix< T >, RowMatrix< T >, size_t, double, double > | mpqc::math::gensqrtinv (const RowMatrix< T > &S, bool symmetric=false, double max_condition_number=1e8) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::math::conditioned_orthogonalizer (TA::DistArray< Tile, Policy > S_array, double S_condition_number_threshold) |