casm.vasp.io.Site¶

class casm.vasp.io.Site(cart, position, SD_FLAG='', occupant='', occ_alias='')[source]¶

Bases: object

Site in a basis.

Contains:: self.cart = True if cartesian coordinate self.SD_FLAG = string for selective dynamics description, empty string by default (ex. “T F F”). self.occupant = CASM specie name, empty string by default self.occ_alias = alias (POTCAR) name, empty string by default self.position = np.array coordinate

Site constructor

__init__(cart, position, SD_FLAG='', occupant='', occ_alias='')[source]¶: Site constructor

Methods

`__init__`(cart, position[, SD_FLAG, …])	Site constructor
`write`(file)	Write this Site to a file