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Fix issues due to zero virtual orbitals in a cluster #184

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merged 6 commits into from
Dec 8, 2024
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@basilib basilib commented Dec 5, 2024

Resolves a number of issues due to padding and zero virtual orbitals in a cluster.

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codecov bot commented Dec 6, 2024

Codecov Report

Attention: Patch coverage is 66.66667% with 11 lines in your changes missing coverage. Please review.

Project coverage is 71.45%. Comparing base (b0edcca) to head (26eefad).
Report is 7 commits behind head on master.

Files with missing lines Patch % Lines
vayesta/ewf/ufragment.py 68.75% 6 Missing and 4 partials ⚠️
vayesta/core/types/wf/fci.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@           Coverage Diff           @@
##           master     #184   +/-   ##
=======================================
  Coverage   71.45%   71.45%           
=======================================
  Files         156      156           
  Lines       20876    20891   +15     
  Branches     2951     2954    +3     
=======================================
+ Hits        14916    14927   +11     
- Misses       5093     5096    +3     
- Partials      867      868    +1     

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@basilib basilib merged commit a3f1af6 into master Dec 8, 2024
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