#include <screening_kernels.h>

Public Member Functions
	CholeskyFactor ()=default
	CholeskyFactor (const Eigen::MatrixXd &A)
void	compute (const Eigen::MatrixXd &A)
bool	ok () const
const Eigen::MatrixXd &	matrixL () const
Eigen::MatrixXd	SolveL (const Eigen::MatrixXd &B) const
	L^-1 B.
Eigen::MatrixXd	Solve (const Eigen::MatrixXd &B) const
	A^-1 B.

Private Attributes
Eigen::MatrixXd	L_
bool	ok_ = false

Detailed Description

Cholesky factor A = L L^T of a symmetric positive definite matrix, with the same backends as SymmetricEigen (Accelerate LAPACK on macOS, LAPACKE with MKL or Accelerate, otherwise Eigen). ok() is false if A is not positive definite.

Definition at line 76 of file screening_kernels.h.

Constructor & Destructor Documentation

◆ CholeskyFactor() [1/2]

votca::xtp::CholeskyFactor::CholeskyFactor ( )

default

◆ CholeskyFactor() [2/2]

votca::xtp::CholeskyFactor::CholeskyFactor ( const Eigen::MatrixXd & A )

explicit

Definition at line 237 of file screening_kernels.cc.

Member Function Documentation

◆ compute()

void votca::xtp::CholeskyFactor::compute ( const Eigen::MatrixXd & A )

Definition at line 239 of file screening_kernels.cc.

◆ matrixL()

const Eigen::MatrixXd & votca::xtp::CholeskyFactor::matrixL ( ) const

inline

Definition at line 82 of file screening_kernels.h.

◆ ok()

bool votca::xtp::CholeskyFactor::ok ( ) const

inline

Definition at line 81 of file screening_kernels.h.

◆ Solve()

Eigen::MatrixXd votca::xtp::CholeskyFactor::Solve ( const Eigen::MatrixXd & B ) const

A^-1 B.

Definition at line 273 of file screening_kernels.cc.

◆ SolveL()

Eigen::MatrixXd votca::xtp::CholeskyFactor::SolveL ( const Eigen::MatrixXd & B ) const

L^-1 B.

Definition at line 269 of file screening_kernels.cc.

Member Data Documentation

◆ L_

Eigen::MatrixXd votca::xtp::CholeskyFactor::L_

private

Definition at line 89 of file screening_kernels.h.

◆ ok_

bool votca::xtp::CholeskyFactor::ok_ = false