Annabelle Lolinco

icon location Iowa State Chemistry graduate student in Theresa Windus's computational group.

Results 2 issues of Annabelle Lolinco

Basis issue orderings

5 comment

Overall, we'd like to address the ordering of the molecular orbitals, particularly in how the Cartesian order is formatted. The Molden format can be found [here](http://www.cmbi.ru.nl/molden/molden_format.html). However, there seems to...

export log file runs but no logs pulled

Hi! I was interested in finding a way to export the logs from Watson, and I got `export_logs_py.py` to run completely on my terminal (Mac workstation). The Watson Assistant has...