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Add PythonCall.jl support #11

Merged
merged 2 commits into from
Aug 14, 2024
Merged

Add PythonCall.jl support #11

merged 2 commits into from
Aug 14, 2024

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Alexsp32
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@Alexsp32 Alexsp32 commented Jul 26, 2024

Currently, NQCD packages use a mixture of PyCall.jl and PythonCall.jl, particularity in the NQCD documentation.

To ensure the ASE interface is available for both packages, I've duplicated and adapted a conditionally loaded version of it for use with PythonCall.jl

ToDo

  • Update NQCD docs to indicate that PyCall / PythonCall needs to be loaded before NQCBase is.

@Alexsp32 Alexsp32 self-assigned this Jul 26, 2024
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Alexsp32 commented Jul 31, 2024

Documentation updated in NQCDynamics.jl#351

@reinimaurer1 Ready for review now.

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this looks very good. I think it's good to support both at this point

@Alexsp32 Alexsp32 merged commit f89c72b into main Aug 14, 2024
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@Alexsp32 Alexsp32 deleted the interfaces-as-extensions branch August 14, 2024 08:14
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2 participants