votca::xtp::AOShell::AOValues Struct Reference

#include <aoshell.h>

Public Member Functions
	AOValues (Index size)

Public Attributes
Eigen::VectorXd	values
Eigen::MatrixX3d	derivatives

Detailed Description

Definition at line 124 of file aoshell.h.

Constructor & Destructor Documentation

AOValues()

votca::xtp::AOShell::AOValues::AOValues ( Index  size )

inline

Definition at line 126 of file aoshell.h.

Member Data Documentation

derivatives

Eigen::MatrixX3d votca::xtp::AOShell::AOValues::derivatives

Definition at line 131 of file aoshell.h.

values

Eigen::VectorXd votca::xtp::AOShell::AOValues::values

Definition at line 130 of file aoshell.h.

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The documentation for this struct was generated from the following file:

• xtp/include/votca/xtp/aoshell.h