alframework.builders.defect_crystal_builder module

builder(StructFile, Rattle=0.0, repAtMax=0, CScale=1.0, CRat=0.0, tInt=[], nVac=0, tRep=[], tMain=None)

defect_cell_builder_task(moleculeid: str, cfg_dir: str, maxVac: int = 0, maxInt: int = 0, typInt: list = [], maxRep: int = 0, typRep: list = [], rattle: float = 0.0, cScaleRange: list = [0.99999, 1.0001], cRattle: float = 0.0, maxAt: int = 100)