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Surrogate Crystallizer-Reaktoro integration example #1513

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OOAmusat
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Summary/Motivation:

This is an example showing how Reaktoro may be integrated with the surrogate crystallizer in place of surrogates.

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@OOAmusat
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OOAmusat commented Oct 31, 2024

@adam-a-a @avdudchenko @TimBartholomew The current failures are from the import reaktoro step; we need to decide how to handle this.

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lbianchi-lbl commented Oct 31, 2024

  • This functionality depends on reaktoro-pse, and therefore reaktoro and cyipopt, that are not easy to install in CI
  • We need this for an analysis that should be completed by December (this is an internal goal)
  • We (mostly @avdudchenko and myself) need to figure out the best way to test this, which is directly related with thereaktoro-pse timeline)

@lbianchi-lbl lbianchi-lbl marked this pull request as draft November 5, 2024 23:52
@ksbeattie ksbeattie added the Priority:Normal Normal Priority Issue or PR label Nov 14, 2024
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