Inheritance diagram for votca::xtp::AOECP:

Collaboration diagram for votca::xtp::AOECP:

Public Member Functions
void	FillPotential (const AOBasis &aobasis, const ECPAOBasis &ecp)

Public Member Functions inherited from votca::xtp::AOPotential< double >
Index	Dimension ()

const Eigen::Matrix< double, Eigen::Dynamic, Eigen::Dynamic > &	Matrix () const

Protected Member Functions
void	FillBlock (Eigen::Block< Eigen::MatrixXd > &, const AOShell &, const AOShell &) const final

Protected Member Functions inherited from votca::xtp::AOPotential< double >
Eigen::Matrix< double, Eigen::Dynamic, Eigen::Dynamic >	Fill (const AOBasis &aobasis) const

virtual void	FillBlock (Eigen::Block< Eigen::Matrix< double, Eigen::Dynamic, Eigen::Dynamic > > &matrix, const AOShell &shell_row, const AOShell &shell_col) const=0

Additional Inherited Members
Protected Attributes inherited from votca::xtp::AOPotential< double >
Eigen::Matrix< double, Eigen::Dynamic, Eigen::Dynamic >	aopotential_

Detailed Description

Definition at line 53 of file aopotential.h.

Member Function Documentation

void votca::xtp::AOECP::FillBlock	(	Eigen::Block< Eigen::MatrixXd > &	,
		const AOShell &	,
		const AOShell &
	)		const

inlinefinalprotected

Definition at line 58 of file aopotential.h.

void votca::xtp::AOECP::FillPotential	(	const AOBasis &	aobasis,
		const ECPAOBasis &	ecp
	)

Definition at line 46 of file aoecp.cc.

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