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nomad-coe / electronic-parsers

Apache License 2.0
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Fix error with `silicon_versions` fixture and `parse_native_tiers` #160

Closed ndaelman-hu closed 10 months ago

ndaelman-hu commented 10 months ago

Resolve breaking tests test_band_silicon and test_native_tiers

Closes #145

ladinesa commented 10 months ago

Please also include a smaller test data in this pr.

ndaelman-hu commented 10 months ago

Please also include a smaller test data in this pr.

I'm generating examples myself now. These should be single point and be much smaller.

ndaelman-hu commented 10 months ago

Done, I removed the Hessian files and made aims.out 6x smaller. intermediate still takes a bit, but overall the impact is noticeable. After updating the native tier in the fhiaims, I could also just go with control.in, which would speed it up way better.

ladinesa commented 10 months ago

Done, I removed the Hessian files and made aims.out 6x smaller. intermediate still takes a bit, but overall the impact is noticeable. After updating the native tier in the fhiaims, I could also just go with control.in, which would speed it up way better.

If this is the smallest you can generate then ok. We want to keep each test file under 1mb as much as possible.

ladinesa commented 10 months ago

Please merge.