Allow selection of reference charges#100
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awvwgk merged 4 commits intodftd4:mainfrom May 10, 2021
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Codecov Report
@@ Coverage Diff @@
## main #100 +/- ##
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- Coverage 60.05% 60.01% -0.05%
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Files 39 39
Lines 2779 2886 +107
Branches 932 979 +47
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+ Hits 1669 1732 +63
- Misses 571 599 +28
- Partials 539 555 +16
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Required for self-consistent DFT-D4 calculations with GFN2-xTB.