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

#include <aopotential.h>

Inheritance diagram for votca::xtp::AOECP:
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Collaboration diagram for votca::xtp::AOECP:
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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

◆ FillBlock()

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

Definition at line 58 of file aopotential.h.

◆ FillPotential()

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

Definition at line 59 of file aoecp.cc.

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