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.

Note

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.