votca::xtp::AOPotential< T > Class Template Reference

#include <aopotential.h>

Public Member Functions
Index	Dimension ()
const Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic > &	Matrix () const

Protected Member Functions
Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic >	Fill (const AOBasis &aobasis) const
virtual void	FillBlock (Eigen::Block< Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic > > &matrix, const AOShell &shell_row, const AOShell &shell_col) const =0

Protected Attributes
Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic >	aopotential_

Detailed Description

template<class T>
class votca::xtp::AOPotential< T >

Definition at line 36 of file aopotential.h.

Member Function Documentation

Dimension()

template<class T >

Index votca::xtp::AOPotential< T >::Dimension ( )

inline

Definition at line 38 of file aopotential.h.

Fill()

template<class T >

Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic > votca::xtp::AOPotential< T >::Fill ( const AOBasis & aobasis ) const

protected

Definition at line 27 of file aopotential.cc.

FillBlock()

template<class T >

virtual void votca::xtp::AOPotential< T >::FillBlock ( Eigen::Block< Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic > > & matrix, const AOShell & shell_row, const AOShell & shell_col ) const

protectedpure virtual

Matrix()

template<class T >

const Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic > & votca::xtp::AOPotential< T >::Matrix ( ) const

inline

Definition at line 39 of file aopotential.h.

Member Data Documentation

aopotential_

template<class T >

Eigen::Matrix<T, Eigen::Dynamic, Eigen::Dynamic> votca::xtp::AOPotential< T >::aopotential_

protected

Definition at line 49 of file aopotential.h.

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

• xtp/include/votca/xtp/aopotential.h
• xtp/src/libxtp/aomatrices/aopotential.cc