LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.json
setup.py
aiida_ddec/__init__.py
aiida_ddec.egg-info/PKG-INFO
aiida_ddec.egg-info/SOURCES.txt
aiida_ddec.egg-info/dependency_links.txt
aiida_ddec.egg-info/entry_points.txt
aiida_ddec.egg-info/requires.txt
aiida_ddec.egg-info/top_level.txt
aiida_ddec/calculations/__init__.py
aiida_ddec/parsers/__init__.py
aiida_ddec/utils/__init__.py
aiida_ddec/utils/workchains.py
aiida_ddec/utils/xyzparser.py
aiida_ddec/workchains/__init__.py
aiida_ddec/workchains/cp2k_ddec.py
examples/__init__.py
examples/run_cp2k_ddec_Zn-MOF-74.py
examples/test_cp2k_ddec_h2o.py
tests/__init__.py