Serenity interface python code and examples #190
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dormrod
requested changes
Jan 9, 2025
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Looks great, nice to get some more 3rd party stuff into PLAMS.
Couple of other things:
- Add a quick note to this changelog: https://github.com/SCM-NV/PLAMS/blob/trunk/CHANGELOG.md this will be used to generate the "what's new" at the end of the year
- Does this need to be added to the docs, with some of the examples e.g. here: https://www.scm.com/doc.trunk/plams/interfaces/thirdparty.html ?
… couple of select places purely for readability, to make it clear what we are doing
… couple of select places purely for readability, to make it clear what we are doing
dormrod
approved these changes
Jan 15, 2025
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This pull request includes files needed for the interface to the Serenity software. It includes files for the relevant classes, as well as lots of examples. Since this is a third-party software in order to run the examples one needs to install Serenity (and its numerous dependencies) first.