emmet-builders 0.51.7__tar.gz → 0.51.8__tar.gz
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- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/PKG-INFO +1 -1
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/abinit/sound_velocity.py +3 -1
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet_builders.egg-info/PKG-INFO +1 -1
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/abinit/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/abinit/phonon.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/feff/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/feff/xas.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/alloys.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/bonds.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/chemenv.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/dielectric.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/elasticity.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/electrodes.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/magnetism.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/optimade.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/provenance.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/robocrys.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/similarity.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/substrates.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/summary.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/materials/thermo.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/mobility/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/atomic.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/bonds.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/redox.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/summary.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/thermo.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/molecules/vibration.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/qchem/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/qchem/molecules.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/settings.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/utils.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/vasp/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/vasp/materials.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/deployment.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.10.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.10_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.11.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.11_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.8.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.8_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.9.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/macos-latest_py3.9_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.10.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.10_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.11.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.11_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.8.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.8_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.9.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/requirements/ubuntu-latest_py3.9_extras.txt +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/setup.cfg +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/setup.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/conftest.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/__init__.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/test_atomic.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/test_bonds.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/test_orbitals.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/test_redox.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/test_summary.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/test_thermo.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/molecules/test_vibration.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_absorption.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_basic_descriptors.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_chemenv.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_dielectric.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_elasticity.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_electronic_structure.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_magnetism.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_materials.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_mobility.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_oxidation.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_piezoelectric.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_qchem.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_similarity.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_summary.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_utils.py +0 -0
- {emmet-builders-0.51.7 → emmet-builders-0.51.8}/tests/test_vasp.py +0 -0
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# Read the DDB file and pass as an object. Do not write here since in case of parallel
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# execution each worker will write its own file.
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ddb_data = self.ddb_source.query_one(criteria={"_id": item["abinit_output"]["ddb_id"]})
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item["ddb_str"] = ddb_data["data"].decode("utf-8")
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