casm.vasp.io.Site
- class casm.vasp.io.Site(cart, position, SD_FLAG='', occupant='', occ_alias='')[source]
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
Methods
__init__(cart, position[, SD_FLAG, ...])Site constructor
write(file)Write this Site to a file