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electronic-structure / SIRIUS

Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
115 stars 40 forks source link

Fix test32 #987

Closed abussy closed 2 months ago

abussy commented 2 months ago

Regenerated a reference output file for test32. Error originated from PR #980 and #979 being merged in close succession.

simonpintarelli commented 2 months ago

cscs-ci run default