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This repository was archived by the owner on Oct 10, 2025. It is now read-only.

Data for tests can be simplified #11

@tovrstra

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@tovrstra

We should first get rid of some big data files before tackling this. See #6

Currently the data used in the tests are spread over three places:

  • directories with npz files in gbasis/test/data
  • gbasis/test/gobasis_data.py
  • gbasis/test/mol_data.py

The latter two can be put in these directories as well. It would also be cleaner and simpler to have just one function to load data, rather than different ones.

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