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Variational embedding #118

Merged
merged 30 commits into from
Aug 16, 2023

re-enabled rdm1 that was disabled at debug time.

03655fb
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Merged

Variational embedding #118

re-enabled rdm1 that was disabled at debug time.
03655fb
Select commit
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Codecov / codecov/project failed Aug 16, 2023 in 1s

71.57% (-0.96%) compared to bf7cbc7

View this Pull Request on Codecov

71.57% (-0.96%) compared to bf7cbc7

Details

Codecov Report

Patch coverage: 4.07% and project coverage change: -0.96% ⚠️

Comparison is base (bf7cbc7) 72.52% compared to head (03655fb) 71.57%.
Report is 2 commits behind head on master.

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #118      +/-   ##
==========================================
- Coverage   72.52%   71.57%   -0.96%     
==========================================
  Files         142      145       +3     
  Lines       19088    19357     +269     
  Branches     3056     3111      +55     
==========================================
+ Hits        13844    13854      +10     
- Misses       4479     4738     +259     
  Partials      765      765              
Files Changed Coverage Δ
vayesta/misc/variational_embedding/__init__.py 0.00% <0.00%> (ø)
...sc/variational_embedding/calc_nonorth_couplings.py 0.00% <0.00%> (ø)
...a/misc/variational_embedding/variational_params.py 0.00% <0.00%> (ø)
vayesta/core/types/wf/fci.py 61.24% <21.27%> (-5.63%) ⬇️
vayesta/__init__.py 76.85% <100.00%> (+0.21%) ⬆️

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