LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
benchmarks/__init__.py
benchmarks/bench_copy.py
benchmarks/bench_mongoengine.py
qcfractal/__init__.py
qcfractal/_version.py
qcfractal/extras.py
qcfractal/server.py
qcfractal/testing.py
qcfractal/web_handlers.py
qcfractal.egg-info/PKG-INFO
qcfractal.egg-info/SOURCES.txt
qcfractal.egg-info/dependency_links.txt
qcfractal.egg-info/entry_points.txt
qcfractal.egg-info/requires.txt
qcfractal.egg-info/top_level.txt
qcfractal.egg-info/zip-safe
qcfractal/cli/__init__.py
qcfractal/cli/cli_utils.py
qcfractal/cli/qcfractal_manager.py
qcfractal/cli/qcfractal_server.py
qcfractal/cli/tests/__init__.py
qcfractal/cli/tests/fw_config_boot.yaml
qcfractal/cli/tests/setup.yaml
qcfractal/cli/tests/test_cli.py
qcfractal/data/__init__.py
qcfractal/interface/__init__.py
qcfractal/interface/client.py
qcfractal/interface/constants.py
qcfractal/interface/dict_utils.py
qcfractal/interface/hash_helpers.py
qcfractal/interface/statistics.py
qcfractal/interface/collections/__init__.py
qcfractal/interface/collections/collection.py
qcfractal/interface/collections/collection_utils.py
qcfractal/interface/collections/dataset.py
qcfractal/interface/collections/fragment.py
qcfractal/interface/collections/generic.py
qcfractal/interface/collections/openffworkflow.py
qcfractal/interface/collections/reaction_dataset.py
qcfractal/interface/data/__init__.py
qcfractal/interface/data/data_getters.py
qcfractal/interface/data/molecules/butane.json
qcfractal/interface/data/molecules/helium_dimer.json
qcfractal/interface/data/molecules/helium_dimer.npy
qcfractal/interface/data/molecules/helium_dimer.psimol
qcfractal/interface/data/molecules/hooh.json
qcfractal/interface/data/molecules/neon_tetramer.psimol
qcfractal/interface/data/molecules/water_dimer_minima.psimol
qcfractal/interface/data/molecules/water_dimer_stretch.psimol
qcfractal/interface/data/molecules/water_dimer_stretch2.psimol
qcfractal/interface/data/options/psi_default.json
qcfractal/interface/models/__init__.py
qcfractal/interface/models/common_models.py
qcfractal/interface/models/gridoptimization.py
qcfractal/interface/models/rest_models.py
qcfractal/interface/models/torsiondrive.py
qcfractal/interface/models/tests/__init__.py
qcfractal/interface/models/tests/test_hashes.py
qcfractal/interface/orm/__init__.py
qcfractal/interface/orm/build_orm.py
qcfractal/interface/orm/optimization_orm.py
qcfractal/interface/schema/__init__.py
qcfractal/interface/schema/database_schema.py
qcfractal/interface/schema/definitions_schema.py
qcfractal/interface/schema/molecule_schema.py
qcfractal/interface/schema/options_schema.py
qcfractal/interface/schema/schema_getters.py
qcfractal/interface/tests/__init__.py
qcfractal/interface/tests/test_dataset.py
qcfractal/interface/tests/test_helper.py
qcfractal/interface/tests/test_molecule.py
qcfractal/interface/tests/test_utils.py
qcfractal/procedures/__init__.py
qcfractal/procedures/procedures.py
qcfractal/procedures/procedures_util.py
qcfractal/queue/__init__.py
qcfractal/queue/adapters.py
qcfractal/queue/base_adapter.py
qcfractal/queue/executor_adapter.py
qcfractal/queue/fireworks_adapter.py
qcfractal/queue/handlers.py
qcfractal/queue/managers.py
qcfractal/queue/parsl_adapter.py
qcfractal/services/__init__.py
qcfractal/services/gridoptimization_service.py
qcfractal/services/service_util.py
qcfractal/services/services.py
qcfractal/services/torsiondrive_service.py
qcfractal/storage_sockets/__init__.py
qcfractal/storage_sockets/models.py
qcfractal/storage_sockets/mongoengine_socket.py
qcfractal/storage_sockets/storage_socket.py
qcfractal/storage_sockets/storage_utils.py
qcfractal/tests/__init__.py
qcfractal/tests/test_adapaters.py
qcfractal/tests/test_authentication.py
qcfractal/tests/test_client.py
qcfractal/tests/test_collections.py
qcfractal/tests/test_compute.py
qcfractal/tests/test_managers.py
qcfractal/tests/test_mongoengine_socket.py
qcfractal/tests/test_procedures.py
qcfractal/tests/test_queue.py
qcfractal/tests/test_server.py
qcfractal/tests/test_services.py
qcfractal/tests/test_storage_sockets_me.py