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Function index

asche1 edited this page Jan 25, 2021 · 11 revisions

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