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dftd3 / simple-dftd3

reimplementation of the DFT-D3 program
https://dftd3.readthedocs.io
GNU Lesser General Public License v3.0
51 stars 24 forks source link

Add damping parameters for revDSD double hybrid functionals #71

Closed awvwgk closed 3 months ago

awvwgk commented 3 months ago

Closes #70

codecov[bot] commented 3 months ago

Codecov Report

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

Project coverage is 50.36%. Comparing base (3a50cbd) to head (939d847). Report is 10 commits behind head on main.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #71 +/- ## ========================================== + Coverage 48.63% 50.36% +1.73% ========================================== Files 34 24 -10 Lines 3707 2440 -1267 Branches 1518 987 -531 ========================================== - Hits 1803 1229 -574 + Misses 1207 870 -337 + Partials 697 341 -356 ```

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