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literal schema_name

Open loriab opened this issue 1 year ago • 0 comments

Description

Changelog description

  • Solidifies the schema_names for QCInputSpecification and AtomicResult into Literals where previously they had been regex strings coerced into a single name (name unchanged). The literals are for the benefit of GeneralizedOptimizationInput/Result in 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 a Literal.

Status

  • [ ] Code base linted
  • [ ] Ready to go

loriab avatar Jun 07 '24 03:06 loriab