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Fix residence time save curve path; fix ligpargen url; fix connection not private #23

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merged 14 commits into from
Dec 19, 2023

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htz1992213
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@htz1992213 htz1992213 commented Dec 19, 2023

Summary

Include a summary of major changes in bullet points:

  • Fix residence time save curve path
  • Fix ligpargen url
  • Fix "Your Connection is Not Private"

Additional dependencies introduced (if any)

  • List all new dependencies needed and justify why. While adding dependencies that bring
    significantly useful functionality is perfectly fine, adding ones that
    add trivial functionality, e.g., to use one single easily implementable
    function, is frowned upon. Provide a justification why that dependency is needed.
    Especially frowned upon are circular dependencies, e.g., depending on derivative
    modules of pymatgen such as custodian or Fireworks.

TODO (if any)

If this is a work-in-progress, write something about what else needs
to be done

  • Feature 1 supports A, but not B.

Checklist

Work-in-progress pull requests are encouraged. Please put [WIP]
in the pull request title.

Before a pull request can be merged, the following items must be checked:

  • Code is in the standard Python style. The easiest way to handle this
    is to run the following in the correct sequence on your local machine. Start with running
    black on your new code. This will automatically reformat
    your code to PEP8 conventions and removes most issues. Then run
    pycodestyle, followed by
    flake8.
  • Docstrings have been added in the Google docstring format.
    Run pydocstyle on your code.
  • Type annotations are highly encouraged. Run mypy to type check your code.
  • Tests have been added for any new functionality or bug fixes.
  • All linting and tests pass.

htz1992213

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@htz1992213 htz1992213 changed the title Fix residence time save curve path Fix residence time save curve path; fix ligpargen url Dec 19, 2023
@htz1992213 htz1992213 changed the title Fix residence time save curve path; fix ligpargen url Fix residence time save curve path; fix ligpargen url; fix connection not private Dec 19, 2023
@htz1992213 htz1992213 merged commit 1830b92 into HouGroup:main Dec 19, 2023
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