wbo.f90 File Reference

Implements the calculation of Wiberg-Mayer bond orders as post processing method. More...

Data Types
type	tblite_post_processing_wbo::wiberg_bond_orders
	Wiberg-Mayer bond orders as post-processing method. More...

Functions/Subroutines
subroutine, public	tblite_post_processing_wbo::new_wiberg_bond_orders (self)

Variables
character(len=24), parameter	tblite_post_processing_wbo::label = "Mayer-Wiberg bond orders"

Detailed Description

Implements the calculation of Wiberg-Mayer bond orders as post processing method.

Function/Subroutine Documentation

new_wiberg_bond_orders()

subroutine, public tblite_post_processing_wbo::new_wiberg_bond_orders

(

type(wiberg_bond_orders), intent(out)

self

)

Parameters

[out]

self

Instance of the Wiberg-Mayer bond order post-processing