LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
qcportal/__init__.py
qcportal/_version.py
qcportal/client.py
qcportal/dict_utils.py
qcportal/hash_helpers.py
qcportal/qcportal.py
qcportal/statistics.py
qcportal/util.py
qcportal/visualization.py
qcportal.egg-info/PKG-INFO
qcportal.egg-info/SOURCES.txt
qcportal.egg-info/dependency_links.txt
qcportal.egg-info/requires.txt
qcportal.egg-info/top_level.txt
qcportal.egg-info/zip-safe
qcportal/collections/__init__.py
qcportal/collections/collection.py
qcportal/collections/collection_utils.py
qcportal/collections/dataset.py
qcportal/collections/dataset_view.py
qcportal/collections/generic.py
qcportal/collections/gridoptimization_dataset.py
qcportal/collections/optimization_dataset.py
qcportal/collections/reaction_dataset.py
qcportal/collections/torsiondrive_dataset.py
qcportal/data/__init__.py
qcportal/data/data_getters.py
qcportal/data/molecules/butane.json
qcportal/data/molecules/helium_dimer.json
qcportal/data/molecules/helium_dimer.psimol
qcportal/data/molecules/hooh.json
qcportal/data/molecules/neon_tetramer.psimol
qcportal/data/molecules/water_dimer_minima.psimol
qcportal/data/molecules/water_dimer_stretch.psimol
qcportal/data/molecules/water_dimer_stretch2.psimol
qcportal/data/options/psi_default.json
qcportal/models/__init__.py
qcportal/models/common_models.py
qcportal/models/gridoptimization.py
qcportal/models/model_builder.py
qcportal/models/model_utils.py
qcportal/models/records.py
qcportal/models/rest_models.py
qcportal/models/task_models.py
qcportal/models/torsiondrive.py
qcportal/models/tests/__init__.py
qcportal/models/tests/test_common_models.py
qcportal/models/tests/test_hashes.py
qcportal/models/tests/test_model_utils.py
qcportal/models/tests/test_rest_models.py
qcportal/tests/__init__.py
qcportal/tests/test_dataset.py
qcportal/tests/test_helper.py
qcportal/tests/test_models.py
qcportal/tests/test_molecule.py
qcportal/tests/test_qcportal.py
qcportal/tests/test_utils.py
qcportal/tests/test_visualization.py