votca 2025.1-dev
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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.

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