Searched refs:CastepCell (Results 1 – 3 of 3) sorted by relevance
8 CastepParam, CastepCell,120 mock_ccell = CastepCell(mock_castep_keywords, keyword_tolerance=2)172 ccell = CastepCell(testing_keywords, keyword_tolerance=2)
180 from ase.calculators.castep import Castep, CastepCell183 has_cell = isinstance(atoms.calc.cell, CastepCell)
518 self.cell = CastepCell(castep_keywords,2126 elif attr == 'cell' and not isinstance(value, CastepCell):2892 class CastepCell(CastepInputFile): class