conditioned_orthogonalizer.h File Reference
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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)