LICENSE
README.md
pyproject.toml
src/aiida_feff/__init__.py
src/aiida_feff/cli.py
src/aiida_feff/constants.py
src/aiida_feff/utils.py
src/aiida_feff/versions.py
src/aiida_feff/visualise.py
src/aiida_feff.egg-info/PKG-INFO
src/aiida_feff.egg-info/SOURCES.txt
src/aiida_feff.egg-info/dependency_links.txt
src/aiida_feff.egg-info/entry_points.txt
src/aiida_feff.egg-info/requires.txt
src/aiida_feff.egg-info/top_level.txt
src/aiida_feff/calcfunctions/__init__.py
src/aiida_feff/calcfunctions/archive.py
src/aiida_feff/calcfunctions/exafs.py
src/aiida_feff/calcfunctions/experimental.py
src/aiida_feff/calcfunctions/larch.py
src/aiida_feff/calcfunctions/path_contributions.py
src/aiida_feff/calculations/__init__.py
src/aiida_feff/calculations/_aggregate_paths.py
src/aiida_feff/calculations/_run_batch.py
src/aiida_feff/calculations/feff.py
src/aiida_feff/calculations/feff_batch.py
src/aiida_feff/data/__init__.py
src/aiida_feff/data/archive.py
src/aiida_feff/data/parameters.py
src/aiida_feff/data/pathcontributions.py
src/aiida_feff/data/xasdata.py
src/aiida_feff/parsers/__init__.py
src/aiida_feff/parsers/feff.py
src/aiida_feff/parsers/feff_batch.py
src/aiida_feff/workflows/__init__.py
src/aiida_feff/workflows/ensemble.py
tests/test_aggregate_paths.py
tests/test_batch.py
tests/test_calculations.py
tests/test_cli.py
tests/test_data.py
tests/test_ensemble.py
tests/test_ensemble_run.py
tests/test_exafs.py
tests/test_experimental.py
tests/test_larch_ft.py
tests/test_parsers.py
tests/test_path_contributions.py
tests/test_utils.py
tests/test_versions.py
tests/test_visualise.py