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Develop 2 master #37
Develop 2 master #37
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and * enable 2 other optional cards HUBBARD, SOLVENTS
implement selection of the formats with the new_format attribute of LDA+U. When passing the attribute the whole dftU dictionary is passed as a single keyword argument.
allows to indicate the used schema from command line
Update formats
- Bump minor version - Add tests for Python 3.11 - Update dev requirements with tox>=4.0 - Remove {homedir} from tox.ini - Replace whitelist_externals with allowlist_externals in tox.ini - Exclude Python 3.7 from flake8 CI tests (not compatible)
to use fetch schema the source must be passed to the constructor otherwise a default schema is used instead of the one indicated by the schemaLocation attribute
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INPUT_SCHEMA: could be better as schema, schema_fn or input_schema (uppercase names are used for constants)
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ok.
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Can be merged as is ... or after renaming INPUT_SCHEMA :)
Add new features and updates the schemas.