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"
Include dependency graph for sqrt_inv.h:
This graph shows which files directly or indirectly include this file:
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) |