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feat: on-the-fly JK builder#148

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brianz98 wants to merge 15 commits intomainfrom
jk-otf
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feat: on-the-fly JK builder#148
brianz98 wants to merge 15 commits intomainfrom
jk-otf

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@brianz98 brianz98 commented Mar 9, 2026

This PR implements on-the-fly (aka direct) algorithms for building the J and K matrices.

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codecov bot commented Mar 9, 2026

Codecov Report

❌ Patch coverage is 89.42918% with 50 lines in your changes missing coverage. Please review.
✅ Project coverage is 92.77%. Comparing base (946fd92) to head (edc9b01).

Files with missing lines Patch % Lines
forte2/jkbuilder/jkbuilder.py 85.20% 37 Missing and 9 partials ⚠️
forte2/helpers/matrix_functions.py 33.33% 1 Missing and 1 partial ⚠️
tests/integrals/test_two_electron.py 96.36% 1 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #148      +/-   ##
==========================================
- Coverage   94.00%   92.77%   -1.23%     
==========================================
  Files         148      148              
  Lines       12721    13167     +446     
  Branches      998     1036      +38     
==========================================
+ Hits        11958    12216     +258     
- Misses        530      706     +176     
- Partials      233      245      +12     

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