search

JaGeo / LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
https://jageo.github.io/LobsterPy/
BSD 3-Clause "New" or "Revised" License
74 stars 27 forks source link

clean up DOSCAR.LSO.lobster handling and add cli test for POSCAR.lobster #257

Closed naik-aakash closed 6 months ago

naik-aakash commented 6 months ago

Hi @JaGeo , this PR could be merged 😃

codecov[bot] commented 6 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 97.48%. Comparing base (3bc7d34) to head (4f611fa).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #257 +/- ## ========================================== + Coverage 97.41% 97.48% +0.06% ========================================== Files 12 12 Lines 2669 2659 -10 ========================================== - Hits 2600 2592 -8 + Misses 69 67 -2 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.