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berquist
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Jun 24, 2024
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- tree should probably always start initialized with a root node
- generate 3rd, 4th order MBE with monomers, dimers, trimers using Psi4
- Ideally Q-Chem too but not sure without looking how much is ported to v2 so far
- fix tree DFS
- Is this how iteration should be done?
- autogen tree for Psi4 BSSE
Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## main #1446 +/- ##
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- Coverage 11.65% 11.53% -0.13%
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Files 107 105 -2
Lines 16739 16536 -203
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- Hits 1951 1907 -44
+ Misses 14788 14629 -159 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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