casm.project.ClexDescription

class casm.project.ClexDescription(name, property, calctype, ref, bset, eci)

Settings for a cluster expansion

name

Cluster expansion name

Type:

str

property

Name of the property being cluster expanded

Type:

str

calctype

Calctype name

Type:

str

ref

Reference state name

Type:

str

bset

Basis set

Type:

str

eci

ECI set name

Type:

str

__init__(name, property, calctype, ref, bset, eci)

Methods

__init__(name, property, calctype, ref, ...)
to_dict()