Updated reference integrals to reflect current state of the code#18
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Updated reference integrals to reflect current state of the code#18
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My own todo list:
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joshkamm
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Dec 14, 2024
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After including the changes you recently merged I'm still getting identical output to your new references on the few files I tested. I'm not sure how to verify whether the integrals are correct but I'm working on adding a test to make it easier to tell in the future whether code changes significantly impact the integrals.
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Does it make sense that the number of lines changed? I don't know so just asking. For each of the couple geometries I checked it seems like the number of lines in A shrinks by a similar factor but the number of lines in SENT and pVp remains the same.
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I've traced it to the fact that the reference integrals were not updated after PMZ changes in commit c1fb5fb. I would be willing to bet the integrals generated now are more accurate than the original, so I re-ran them all.
Closes #13