votca::xtp::AOGaussianPrimitive::data Struct Reference

#include <aoshell.h>

Public Attributes
Index	atomid
Index	l
Index	startindex
double	decay
double	contraction
double	x
double	y
double	z
double	scale

Detailed Description

Definition at line 50 of file aoshell.h.

Member Data Documentation

atomid

Index votca::xtp::AOGaussianPrimitive::data::atomid

Definition at line 51 of file aoshell.h.

contraction

double votca::xtp::AOGaussianPrimitive::data::contraction

Definition at line 55 of file aoshell.h.

decay

double votca::xtp::AOGaussianPrimitive::data::decay

Definition at line 54 of file aoshell.h.

l

Index votca::xtp::AOGaussianPrimitive::data::l

Definition at line 52 of file aoshell.h.

scale

double votca::xtp::AOGaussianPrimitive::data::scale

Definition at line 59 of file aoshell.h.

startindex

Index votca::xtp::AOGaussianPrimitive::data::startindex

Definition at line 53 of file aoshell.h.

x

double votca::xtp::AOGaussianPrimitive::data::x

Definition at line 56 of file aoshell.h.

y

double votca::xtp::AOGaussianPrimitive::data::y

Definition at line 57 of file aoshell.h.

z

double votca::xtp::AOGaussianPrimitive::data::z

Definition at line 58 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