SOF-7010: add valenceOrbitals getter to MethodDataContextMixin#113
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SOF-7010: add valenceOrbitals getter to MethodDataContextMixin#113
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pyproject.toml
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| "jsonschema>=2.6.0", | ||
| "pydantic>=2.7.1", | ||
| "mat3ra-esse>=2025.4.3.post0", | ||
| "mat3ra-esse@git+https://github.com/exabyte-io/esse@3e9d522838ad7bb3021efc682d8ce1eb28021ba2", |
| /** | ||
| * Returns array of orbital names: [{element: "Si", valenceOrbitals: ["3s", "3p"]}] | ||
| */ | ||
| get valenceOrbitals(): { element: string; valenceOrbitals?: Array<string> }[] { |
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Should this go to PseudopotentialMethod?
| /** | ||
| * Returns array of orbital names: [{element: "Si", valenceOrbitals: ["3s", "3p"]}] | ||
| */ | ||
| get valenceOrbitals() { |
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I think this should go to PseudopotentialMethod in Mode
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