autoplex.misc.castep.schema#
Document Schema for CASTEP.
The following code has been taken and modified from materialsproject/atomate2
The code has been released under BSD 3-Clause License and the following copyright applies: atomate2 Copyright (c) 2015, The Regents of the University of California, through Lawrence Berkeley National Laboratory (subject to receipt of any required approvals from the U.S. Dept. of Energy). All rights reserved.
The original schema definitions there haven been taken and generalized to generic ASE calculators from materialsvirtuallab/m3gnet The code has been released under BSD 3-Clause License and the following copyright applies: Copyright (c) 2022, Materials Virtual Lab.
Classes