| props | \n", "Sym | \n", "EH | \n", "Occ | \n", "E | \n", "NOrbGrp | \n", "OrbGrp | \n", "GrpDegen | \n", "NormInt | \n", "
|---|---|---|---|---|---|---|---|---|
| orb | \n", "\n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " |
| 1 | \n", "SG | \n", "-15.6719 | \n", "2.0 | \n", "-426.454124 | \n", "1.0 | \n", "1.0 | \n", "1.0 | \n", "0.999532 | \n", "
| 2 | \n", "SU | \n", "-15.6676 | \n", "2.0 | \n", "-426.337115 | \n", "1.0 | \n", "2.0 | \n", "1.0 | \n", "0.999458 | \n", "
| 3 | \n", "SG | \n", "-1.4948 | \n", "2.0 | \n", "-40.675580 | \n", "1.0 | \n", "3.0 | \n", "1.0 | \n", "0.999979 | \n", "
| 4 | \n", "SU | \n", "-0.7687 | \n", "2.0 | \n", "-20.917393 | \n", "1.0 | \n", "4.0 | \n", "1.0 | \n", "0.999979 | \n", "
| 5 | \n", "SG | \n", "-0.6373 | \n", "2.0 | \n", "-17.341816 | \n", "1.0 | \n", "5.0 | \n", "1.0 | \n", "1.000000 | \n", "
| 6 | \n", "PU | \n", "-0.6283 | \n", "2.0 | \n", "-17.096914 | \n", "1.0 | \n", "6.0 | \n", "2.0 | \n", "1.000000 | \n", "
| 7 | \n", "PU | \n", "-0.6283 | \n", "2.0 | \n", "-17.096914 | \n", "2.0 | \n", "6.0 | \n", "2.0 | \n", "1.000000 | \n", "
| Wed Mar 20 12:19:18 2024 EDT | \n", "|||||||
| OS | \n", "Linux | \n", "CPU(s) | \n", "64 | \n", "Machine | \n", "x86_64 | \n", "Architecture | \n", "64bit | \n", "
| RAM | \n", "62.8 GiB | \n", "Environment | \n", "Jupyter | \n", "File system | \n", "btrfs | \n", "||
| Python 3.10.11 | packaged by conda-forge | (main, May 10 2023, 18:58:44) [GCC 11.3.0] | \n", "|||||||
| epsproc | \n", "1.3.2-dev | \n", "holoviews | \n", "1.16.2 | \n", "hvplot | \n", "0.8.4 | \n", "xarray | \n", "2022.3.0 | \n", "
| matplotlib | \n", "3.5.3 | \n", "bokeh | \n", "3.1.1 | \n", "plotly | \n", "5.15.0 | \n", "numpy | \n", "1.23.5 | \n", "
| scipy | \n", "1.10.1 | \n", "IPython | \n", "8.13.2 | \n", "scooby | \n", "0.7.2 | \n", "\n", " | \n", " |