bfit._slater

Parsing Slater files.

Module Contents

Functions

load_slater_wfn(element, anion=False, cation=False)

Return the data inside the atomic Slater ‘.slater’ files wave-function file as a dictionary.

bfit._slater.load_slater_wfn(element, anion=False, cation=False)

Return the data inside the atomic Slater ‘.slater’ files wave-function file as a dictionary.

Parameters

• element (str) – The atom/element.

• anion (bool) – If true, then the anion of element is used.

• cation (bool) – If true, then the cation of element is used.