Loading...
Searching...
No Matches
Public Attributes | List of all members
q3::dispersion::C6ReferencePoint Struct Reference

One (CN_i, CN_j) -> C6 grid point for an ordered element pair (Z_i, Z_j). More...

#include <d3bj_reference_data.hpp>

Public Attributes

int atomic_number_i
 
int atomic_number_j
 
Real c6
 
Real coordination_number_i
 
Real coordination_number_j
 

Detailed Description

One (CN_i, CN_j) -> C6 grid point for an ordered element pair (Z_i, Z_j).

Definition at line 76 of file d3bj_reference_data.hpp.

Member Data Documentation

◆ atomic_number_i

int q3::dispersion::C6ReferencePoint::atomic_number_i

Definition at line 77 of file d3bj_reference_data.hpp.

◆ atomic_number_j

int q3::dispersion::C6ReferencePoint::atomic_number_j

Definition at line 78 of file d3bj_reference_data.hpp.

◆ c6

Real q3::dispersion::C6ReferencePoint::c6

Definition at line 79 of file d3bj_reference_data.hpp.

◆ coordination_number_i

Real q3::dispersion::C6ReferencePoint::coordination_number_i

Definition at line 80 of file d3bj_reference_data.hpp.

◆ coordination_number_j

Real q3::dispersion::C6ReferencePoint::coordination_number_j

Definition at line 81 of file d3bj_reference_data.hpp.

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