Function index - asche1/PyCrystalField GitHub Wiki
Index of functions in PyCrystalField
Main objects in workflow:
Class | Description |
---|---|
Ligands |
Stores the ligands and performs point-charge calculations |
CFLevels |
Builds CEF Hamiltonian and calculates properties |
LS_Ligands |
Stores the ligands and performs point-charge calculations |
LS_CFLevels |
Builds CEF Hamiltonian and calculates properties |
Main functions in workflow:
Function | Description |
---|---|
importCIF |
Builds point charge model from .cif file |
Other useful functions
Function | Description |
---|---|
WybourneToStevens |
Converts CEF parameters from the Wybourne formalism to the Stevens formalism |
rescaleCEF |
rescales CEF parameters from one RE ion to another |