votca 2025.1-dev
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votca::xtp::AOPlanewave Class Reference

#include <aopotential.h>

Inheritance diagram for votca::xtp::AOPlanewave:
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Collaboration diagram for votca::xtp::AOPlanewave:
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Public Member Functions

void FillPotential (const AOBasis &aobasis, const std::vector< Eigen::Vector3d > &kpoints)
Public Member Functions inherited from votca::xtp::AOPotential< std::complex< double > >
Index Dimension ()
const Eigen::Matrix< std::complex< double >, Eigen::Dynamic, Eigen::Dynamic > & Matrix () const

Protected Member Functions

void FillBlock (Eigen::Block< Eigen::MatrixXcd > &matrix, const AOShell &shell_row, const AOShell &shell_col) const override
Protected Member Functions inherited from votca::xtp::AOPotential< std::complex< double > >
Eigen::Matrix< std::complex< double >, Eigen::Dynamic, Eigen::Dynamic > Fill (const AOBasis &aobasis) const
virtual void FillBlock (Eigen::Block< Eigen::Matrix< std::complex< double >, Eigen::Dynamic, Eigen::Dynamic > > &matrix, const AOShell &shell_row, const AOShell &shell_col) const=0

Private Member Functions

void setkVector (const Eigen::Vector3d &k)

Private Attributes

Eigen::Vector3d k_

Additional Inherited Members

Protected Attributes inherited from votca::xtp::AOPotential< std::complex< double > >
Eigen::Matrix< std::complex< double >, Eigen::Dynamic, Eigen::Dynamic > aopotential_

Detailed Description

Definition at line 83 of file aopotential.h.

Member Function Documentation

◆ FillBlock()

void votca::xtp::AOPlanewave::FillBlock ( Eigen::Block< Eigen::MatrixXcd > & matrix,
const AOShell & shell_row,
const AOShell & shell_col ) const
overrideprotected

Definition at line 27 of file aoplanewave.cc.

◆ FillPotential()

void votca::xtp::AOPlanewave::FillPotential ( const AOBasis & aobasis,
const std::vector< Eigen::Vector3d > & kpoints )

Definition at line 697 of file aoplanewave.cc.

◆ setkVector()

void votca::xtp::AOPlanewave::setkVector ( const Eigen::Vector3d & k)
inlineprivate

Definition at line 94 of file aopotential.h.

Member Data Documentation

◆ k_

Eigen::Vector3d votca::xtp::AOPlanewave::k_
private

Definition at line 95 of file aopotential.h.

The documentation for this class was generated from the following files: