QCElemental
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literal schema_name
Description
Changelog description
- Solidifies the
schema_names forQCInputSpecificationandAtomicResultintoLiterals where previously they had been regex strings coerced into a single name (name unchanged). The literals are for the benefit ofGeneralizedOptimizationInput/Resultin QCManyBody, which is a generalization of Opt so that it can hold either a single-point gradient or a more complicated gradient specification. To discriminate between the two types, pydantic needs aLiteral.
Status
- [ ] Code base linted
- [ ] Ready to go