LICENSE
MANIFEST.in
README.md
setup.json
setup.py
aiida_castep/__init__.py
aiida_castep/_version.py
aiida_castep/common.py
aiida_castep.egg-info/PKG-INFO
aiida_castep.egg-info/SOURCES.txt
aiida_castep.egg-info/dependency_links.txt
aiida_castep.egg-info/entry_points.txt
aiida_castep.egg-info/requires.txt
aiida_castep.egg-info/top_level.txt
aiida_castep/calculations/__init__.py
aiida_castep/calculations/castep.py
aiida_castep/calculations/datastructure.py
aiida_castep/calculations/inpgen.py
aiida_castep/calculations/tools.py
aiida_castep/calculations/utils.py
aiida_castep/calculations/helper/__init__.py
aiida_castep/calculations/helper/castep_help_info_18.1.json
aiida_castep/calculations/helper/generate.py
aiida_castep/cmdline/__init__.py
aiida_castep/cmdline/helper_cmd.py
aiida_castep/cmdline/mock_castep.py
aiida_castep/cmdline/otfg_cmd.py
aiida_castep/data/__init__.py
aiida_castep/data/otfg.py
aiida_castep/data/usp.py
aiida_castep/data/utils.py
aiida_castep/parsers/__init__.py
aiida_castep/parsers/castep.py
aiida_castep/parsers/castep_bin.py
aiida_castep/parsers/constants.py
aiida_castep/parsers/raw_parser.py
aiida_castep/parsers/test_marcher.py
aiida_castep/parsers/utils.py
aiida_castep/utils/__init__.py
aiida_castep/utils/dos.py
aiida_castep/utils/mock.py
aiida_castep/utils/mock_code.py
aiida_castep/workflows/__init__.py
aiida_castep/workflows/bands.py
aiida_castep/workflows/base.py
aiida_castep/workflows/common.py
aiida_castep/workflows/relax.py
tests/__init__.py
tests/conftest.py
tests/test_data.py
tests/test_datastructure.py
tests/test_helper.py
tests/test_mock.py
tests/test_parser.py
tests/test_utils.py
tests/utils.py
tests/dbtests/__init__.py
tests/dbtests/conftest.py
tests/dbtests/fixture.py
tests/dbtests/test_calcjob.py
tests/dbtests/test_data_db.py
tests/dbtests/test_data_db_migrated.py
tests/dbtests/test_dos.py
tests/dbtests/test_mock.py
tests/dbtests/test_new_fixture.py
tests/dbtests/test_parser.py
tests/dbtests/test_tools.py