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Updated reference integrals to reflect current state of the code #18

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ndmeier25
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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

@ndmeier25 ndmeier25 requested a review from joshkamm November 20, 2024 01:19
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joshkamm commented Nov 22, 2024

My own todo list:

  • Look through the changes
  • Try running a couple of the geometries and check that the integrals I get match closely with the new reference integrals

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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.
#11

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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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running examples doesn't match sample outputs
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