Austin M. Wallace

Here is another example of this error. ```memory 2 GB molecule { 8 0.0000079789 0.0000000002 3.3734612294 1 -0.7693027984 -0.0000000004 3.9669401984 1 0.7691761670 -0.0000000031 3.9671249871 } energy('pbe0/aug-cc-pVDZ') ```

> Rebase when #3256 and #3232 are merged in, and then ping me for review. Will do! Thank you

> Also, please go back and _actually_ fix the merge conflict. The `.gitignore` file alone tells me that needs to be re-checked. I handled the merge conflict in sapt_proc.py; however,...

> SAPT DFT tests aren't passing. Please fix. I have updated the tests and added an explicit test for SAPT(HF) == FISAPT0 for the external potential case ABC.

> Rebase when #3256 is merged in (there will be a merge conflict), and then ping me for review. Apologies for not reviewing this earlier. Hello @JonathonMisiewicz, since #3256 is...