The original code of mqdtfit, with theory and examples, has been published in Computer Physics Communications (CPC) in 2024: R M Potvliege, mqdtfit: A collection of Python functions for empirical multichannel quantum defect calculations, Comput. Phys. Comm. 300 (2024) 109172, https://doi.org/10.1016/j.cpc.2024.109172 .
The files published with this article can be found in this repository, in the folder mqdtfit_cpc. They are also available from the CPC Library at https://doi.org/10.17632/nzgygzd96c.1 .
This repository currently contains the following items:
- **mqdtfit_cpc/mqdtfit.py: The python source code of the module.
- **mqdtfit_cpc/UserManual.pdf: Detailed description of the user-facing functions contained in this module. The user is referred to the article published in Computer Physics Communications for general information about these programs.
- **mqdtfit_cpc/strontium.py: An example of program using the mqdtfit module.
- **mqdtfit_cpc/strontium_output.txt: A copy of the text output generated when running strontium.py.
- **mqdtfit_cpc/channelfractions.pdf: The graph produced by strontium.py.
- **mqdtfit_cpc/ytterbium.py: Another example of program using the mqdtfit module.
- **mqdtfit_cpc/ytterbiumD2data.dat: The data file read by ytterbium.py.
- **mqdtfit_cpc/ytterbium_output.txt: A copy of the text output generated when running ytterbium.py.
- **mqdtfit_cpc/LuFanoplot.pdf: The graph produced by ytterbium.py.