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@mfherbst mfherbst commented Apr 7, 2023

Description

As the title says, plus some preparatory work for solvated response (but not yet implemented or tested).

User API & Changelog headlines

  • The interface towards the pyddx library for continuum solvation is extended by support for the linearized Poisson-Boltzmann model (LPB)

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Status

  • Ready for review
  • Ready for merge

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@loriab loriab left a comment

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lgtm, thanks!

The one comment is optional syntax that you're welcome to ignore or defer.

@loriab loriab added the external-interface For issues about interfaces with external programs: ADCC, CheMPS2, GDMA, MRCC... label Apr 10, 2023
@loriab loriab added this to the Psi4 1.8 milestone Apr 10, 2023
@loriab loriab merged commit c98ddce into psi4:master Apr 12, 2023
@loriab loriab mentioned this pull request Apr 14, 2023
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3 participants