Skip to content

MR Spin Integration#20

Open
brianz98 wants to merge 48 commits intofevangelista:mainfrom
brianz98:mr-spin-integration
Open

MR Spin Integration#20
brianz98 wants to merge 48 commits intofevangelista:mainfrom
brianz98:mr-spin-integration

Conversation

@brianz98
Copy link
Contributor

@brianz98 brianz98 commented Jun 21, 2024

This PR implements spin integraion wrt a multideterminantal reference.

Todos

  • Inter-general elementary contractions
  • PyBind API additions
  • Miscellaneous utilities for MR spin integration
  • Enable GHA testing
  • Ready to go

@codecov
Copy link

codecov bot commented Jun 21, 2024

Codecov Report

Attention: Patch coverage is 91.47287% with 11 lines in your changes missing coverage. Please review.

Project coverage is 84.94%. Comparing base (a6f7b59) to head (67ca107).

Files Patch % Lines
wicked/algebra/equation.cc 33.33% 4 Missing ⚠️
wicked/algebra/index.cc 0.00% 2 Missing ⚠️
...d/diagrams/wick_theorem_elementary_contractions.cc 97.56% 2 Missing ⚠️
...cked/diagrams/wick_theorem_process_contractions.cc 87.50% 2 Missing ⚠️
wicked/algebra/symbolic_term.cc 0.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main      #20      +/-   ##
==========================================
+ Coverage   83.92%   84.94%   +1.01%     
==========================================
  Files          48       48              
  Lines        1873     1979     +106     
==========================================
+ Hits         1572     1681     +109     
+ Misses        301      298       -3     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants