sqrt_inv.h File Reference
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include "mpqc/math/external/tiledarray/array_info.h"
#include "mpqc/util/misc/time.h"
#include <cmath>
#include <cstdlib>
#include <fstream>
#include <iomanip>
#include <limits>
#include <type_traits>
#include <madness/world/array_addons.h>
#include "mpqc/math/external/eigen/eigen.h"
#include "mpqc/math/linalg/diagonal_array.h"
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Classes

class  mpqc::math::pair_accumulator< Array >
 
class  mpqc::math::pair_smasher< Tile >
 
struct  mpqc::math::compress
 

Namespaces

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

Functions

template<typename Tile , std::enable_if_t< TiledArray::detail::is_contiguous_tensor_v< Tile >> * = nullptr>
void mpqc::math::eigen_estimator (std::array< Tile, 2 > &result, Tile const &tile)
 
template<typename Array >
double mpqc::math::max_eval_est (Array const &S)
 
template<typename Scalar , typename Tensor , std::enable_if_t< TA::detail::is_contiguous_tensor_v< Tensor >> * = nullptr>
void mpqc::math::add_to_diag_tile (Scalar val, Tensor &tile)
 
void mpqc::math::add_to_diag_tile (double val, TA::Tile< DecomposedTensor< double >> &tile)
 
template<typename Array >
void mpqc::math::add_to_diag (Array &A, double val)
 
template<typename Array >
std::array< typename Array::value_type::numeric_type, 2 > mpqc::math::eval_guess (Array const &A)
 computes {min,max} eigenvalue bounds for a square matrix A using Gerschgorin circle theorem More...
 
template<typename Array >
void mpqc::math::third_order_update (Array const &S, Array &Z)
 
template<typename Array >
Array mpqc::math::inverse_sqrt (Array const &S)