votca 2026-dev
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screening_kernels.h File Reference
#include <functional>
#include <optional>
#include <string>
#include "dfttimings.h"
#include "eigen.h"
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Classes

class  votca::xtp::WeightedGram
struct  votca::xtp::SymmetricEigenSystem
class  votca::xtp::CholeskyFactor
class  votca::xtp::OptionalTiming

Namespaces

namespace  votca
 Provides a means for comparing floating point numbers.
namespace  votca::xtp
 Charge transport classes.

Macros

#define VOTCA_XTP_SCREENING_KERNELS_H

Functions

SymmetricEigenSystem votca::xtp::SymmetricEigen (const Eigen::MatrixXd &A, bool vectors=true)
 With vectors = false only the eigenvalues are computed.
Eigen::MatrixXd votca::xtp::InverseSPD (const Eigen::MatrixXd &A)

Macro Definition Documentation

◆ VOTCA_XTP_SCREENING_KERNELS_H

#define VOTCA_XTP_SCREENING_KERNELS_H

Definition at line 22 of file screening_kernels.h.