CCSD QR using local filter and pairwise algorithm #84

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JoseMadriaga wants to merge 12 commits intoCrawfordGroup:mainfrom

JoseMadriaga:cc_QR_sim_and_LPNO

Commits on Jul 31, 2025

working sim and LPNO_QR CCSD for SHG and OR

Jose Marc Madriaga
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Jose Marc Madriaga
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Commits on Aug 1, 2025

cleaning up

Jose Marc Madriaga
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Jose Marc Madriaga
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Commits on Aug 4, 2025

cleaning up and testing more molecules

Jose Marc Madriaga
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Jose Marc Madriaga
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Commits on Aug 5, 2025

proper test

Jose Marc Madriaga
authored and
Jose Marc Madriaga
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added proper test cases

Jose Marc Madriaga
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Jose Marc Madriaga
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proper test case for lpno_quadresp

Jose Marc Madriaga
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Jose Marc Madriaga
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proper test for sim code QR

Jose Marc Madriaga
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Jose Marc Madriaga
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fixing errors on test case 038

Jose Marc Madriaga
authored and
Jose Marc Madriaga
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fixing errors on test case 038

Jose Marc Madriaga
authored and
Jose Marc Madriaga
committed

Commits on Aug 6, 2025

fixing error in test 038

Jose Marc Madriaga
authored and
Jose Marc Madriaga
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removing unncessary objects

Jose Marc Madriaga
authored and
Jose Marc Madriaga
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removing uncessary objects

Jose Marc Madriaga
authored and
Jose Marc Madriaga
committed