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dftd3 / simple-dftd3

reimplementation of the DFT-D3 program
https://dftd3.readthedocs.io
GNU Lesser General Public License v3.0
48 stars 20 forks source link

Remove unused BLAS dependency from project #63

Closed awvwgk closed 1 month ago

awvwgk commented 1 month ago

Using BLAS has been made obsolete with https://github.com/dftd3/simple-dftd3/commit/4c6c7825ba25288d62047a1ecf8edaccecd7061a.

codecov[bot] commented 1 month ago

Codecov Report

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

Project coverage is 52.13%. Comparing base (3a50cbd) to head (89f5111). Report is 5 commits behind head on main.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #63 +/- ## ========================================== + Coverage 48.63% 52.13% +3.50% ========================================== Files 34 33 -1 Lines 3707 3458 -249 Branches 1518 1424 -94 ========================================== Hits 1803 1803 + Misses 1207 958 -249 Partials 697 697 ```

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