Wednesday, 12. February 2020¶
- Read deeper into SAPT
- Check opt jobs
- Check SAPT jobs
- Check HF Jobs
- Check benzene-Ni (Rosalind)
What I did¶
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
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.