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Friday, 17. January 2020

To Do

  • Write some smarter Jupyter code?

    • Perhaps a way to input a list and compare all the energies specified?
    • Data stripping into jypyter?
  • HR compliance modules

What I did

I mostly did two things today:

  1. I checked the SAPT output of some completed jobs and tried to figure out for myself what means what
  2. I wrote a decent amount of python code in Jupyter to be able to easily select and compare different systems

As point 1 might imply, the SAPT jobs have finally been running, and they’re surprisingly fast (like 45 mins). As I right this at 6:45pm, though, massive has reached its disk quota and nobody is around to look in to it 😕