5.49. extras.fodsΒΆ
Fermi-orbital descriptor generation.
All necessary dependencies to use this extra can be installed with:
pip install eminus[fods]
Functions
Generate FOD positions using the PyCOM method. | |
Generate localized orbitals with additional simple stability analysis. | |
Remove core FODs from a set of FOD coordinates. | |
Split atom and FOD coordinates. |