Add PySCF B3LYP variant names and DM21 functionals#42
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awvwgk merged 1 commit intodftd3:mainfrom Jul 12, 2023
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- add DM21, DM21m, DM21mc, and DM21mu
- add B3LYPG and B3LYP3
- add B3LYP5 as alias for B3LYP
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Codecov Report
@@ Coverage Diff @@
## main #42 +/- ##
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+ Coverage 50.35% 50.42% +0.06%
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Files 34 34
Lines 3753 3758 +5
Branches 1595 1595
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+ Hits 1890 1895 +5
Misses 1192 1192
Partials 671 671
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