Searched refs:Castep (Results 1 – 6 of 6) sorted by relevance
180 from ase.calculators.castep import Castep, CastepCell190 cell = Castep(keyword_tolerance=2).cell403 from ase.calculators.castep import Castep414 calc = Castep(**calculator_args)722 from ase.calculators.castep import Castep725 calc = Castep()1223 from ase.calculators.castep import Castep1224 calc = Castep(check_castep_version=False, keyword_tolerance=2)
7 from ase.calculators.castep import (Castep, CastepOption,102 return Castep(castep_keywords=testing_keywords, directory=castep_path,
178 from ase.calculators.castep import Castep179 return Castep(castep_command=self.executable, **kwargs)
104 class Castep(Calculator): class
58 * Castep interface was added by @ladyteam.
8970 new feature: Castep reading of .ts files