Add PySCF B3LYP variant names and DM21 functionals #42
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awvwgk
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Jul 12, 2023
awvwgk
commented
- 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 +/- ##
==========================================
+ Coverage 50.35% 50.42% +0.06%
==========================================
Files 34 34
Lines 3753 3758 +5
Branches 1595 1595
==========================================
+ Hits 1890 1895 +5
Misses 1192 1192
Partials 671 671
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