AtomData

class ase2sprkkr.sprkkr.structure.AtomData[source]

A helper object for reading in_structure.inp file

Class hierarchy

Inheritance diagram of ase2sprkkr.sprkkr.structure.AtomData

Constructor

__init__()[source]

static from_text(lines)[source]: Create the Atom data object from the two text lines :from a in_structure.inp file

get_symbol(potential)[source]