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Wednesday, 12. February 2020

To do

  • Read deeper into SAPT
  • Check opt jobs
  • Check SAPT jobs
  • Check HF Jobs
  • Check benzene-Ni (Rosalind)

What I did

6:33 AM

I pushed on and got some of the straggling ion pairs up to the SAPT job stage. Benzene-Ni is running on Rosalind, very slowly, but making progress nonetheless.


Don’t work when you’re not awake yet… or too tired to focus 😞
…You will accidentally delete a whole stack of stuff

5:20 PM

I did some more work on the Jupyter notebook, cleaning up the merge of the two. I also added in some new plots for more comparative visualisations.

I pushed more jobs through as well.