emmet.core
Core module exposes the document interfaces These will be ingested via Drones, built by Builders, and served via the API.
Modules
Define basic schema for band theoretic properties. |
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Base emmet model to add default metadata. |
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Define schemas for charge density data. |
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Core definition of a CorrectedEntriesDoc Document |
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Core definition of an Electronic Structure |
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Define equation of state (EOS) schemas. |
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Core definition of a Materials Document |
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Core definition of a Materials Document |
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Define schemas for ML calculations and training data. |
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Define identifier schemas used in MP. |
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Define extensions of the MPID class which are used throughout emmet. |
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Schemas and utils for NEB calculations. |
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Define schemas for DFPT, phonopy, and pheasy-derived phonon data. |
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Core definition for Polar property Document |
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Core definition of a Provenance Document |
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Settings for defaults in the core definitions of Materials Project Documents. |
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Define metrics of similarity between structures. |
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Core definition of Spectrum document |
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Core definition of Structure and Molecule metadata. |
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Core definition of a Task Document which represents a calculation from some program |
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Define core schemas for VASP calculations. |
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Define common testing utils used across emmet namespaces. |
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Core definition of a Thermo Document |
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Define schemas for trajectories. |
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Define utility functions used across the emmet namespace packages. |
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