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Association schemes #147

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@marcosfelt

Is it possible to pass in multiple AssociationRecords to PC-SAFT so that I could have multiple association sites on a molecule?

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  1. prehner commented on Mar 24, 2023

    @prehner
    Contributor

    Hello, that is fascinating timing. I am just finishing an update that allows for more flexible association schemes.

    There are a lot of possible ways that association can be included in SAFT models, however, to keep it fast and ergonomic (especially for mixtures), we usually only consider specific subsets of possible association schemes.

    If you let me know what your use case would be, i can see whether it fits in the planned update.

  2. marcosfelt commented on Mar 24, 2023

    @marcosfelt
    Author

    Thanks for the quick response. To be honest, I am still not sure which association schemes yet since I will need to do some testing (if I even get to it!), so I'd suggest not changing your plans for me :) I'll use whatever you set up!

  3. added this to the v0.5.0 milestone on Apr 3, 2023
  4. linked a pull request that will close this issueRevised association contribution #150on Apr 3, 2023
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