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KeyError: 'Configuration schema missing for Li 0.Please check the CMFGEN configuration file: carsus/data/cmfgen_config.yml'
is raised. This error is justified since obtaining 'H-Zn' is ambiguous for the CMFGEN dataset. However, the documentation should give a hint that for the CMFGEN atomic data the carsus/data/cmfgen_config.yml file needs to be configured to disambiguate the data (e.g. in cases where multiple data is present for the same species).
To Reproduce
Run the quickstart notebook and replace the CMFGEN section with the snippet above.
Screenshots
System
OS:
GNU/Linux
macOS
Environment (conda list):
(Stock environment as specified in the documentation)
Additional context
The text was updated successfully, but these errors were encountered:
Describe the bug
When trying to get CMFGEN data by running e.g.
an error
is raised. This error is justified since obtaining
'H-Zn'
is ambiguous for the CMFGEN dataset. However, the documentation should give a hint that for the CMFGEN atomic data thecarsus/data/cmfgen_config.yml
file needs to be configured to disambiguate the data (e.g. in cases where multiple data is present for the same species).To Reproduce
Run the quickstart notebook and replace the CMFGEN section with the snippet above.
Screenshots
System
OS:
Environment (
conda list
):(Stock environment as specified in the documentation)
Additional context
The text was updated successfully, but these errors were encountered: