[newchem-cpp] add gaussj_g unit tests#376
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brittonsmith merged 3 commits intoSep 11, 2025
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I also tweaked the docstring now that I confirmed that the matrix argument should have a column-major organization
…' into gen2024transcribe/add_gaussj_unittests
…' into gen2024transcribe/add_gaussj_unittests
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Originally proposed as brittonsmith#32
This PR must be reviewed after #375 is merged
This is pretty self-explanatory single-commit PR. I literally added a handful of unit tests. The intention was to use it to help us introduce a C++ version (Aside: Christopher was working on the transcription)