Attempt to automatically generate tree for parsed data #1446
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Member
berquist
commented
Jun 24, 2024
- 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 ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #1446 +/- ##
==========================================
- Coverage 11.65% 11.53% -0.13%
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Files 107 105 -2
Lines 16739 16536 -203
==========================================
- Hits 1951 1907 -44
+ Misses 14788 14629 -159 ☔ View full report in Codecov by Sentry. |
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