- May 09, 2023
- May 03, 2023
- May 02, 2023
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Ian Bell authored
A test that nonpolar works with multipolar
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- May 01, 2023
- Apr 28, 2023
Not the problem, it was the pow(x,1/3), where x < 0
A test that nonpolar works with multipolar
Added multipolar terms; doesn't compile on mac anymore
Appears to be working, additional testing required. Generalizing to handle G&V and G&T correlation integrals remains