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Fixed bug in 'mean_free_path' option. 

It was impossible to enter a numerical value.
The 'allowed_values' keyword was set in the definition
of the 'mean_free_path' parameter, I commented it to
allow any value for this option.
This commit is contained in:
Sylvain Tricot 2021-11-30 16:56:20 +01:00
parent 8269d35420
commit e36373a576
1 changed files with 1 additions and 1 deletions
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src/msspec/parameters.py
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@ -1539,7 +1539,7 @@ class CalculationParameters(BaseParameters):
Parameter('cutoff_factor', types=(int, float), Parameter('cutoff_factor', types=(int, float),
limits=(1e-4, 999.9999), default=0.01, private=False), limits=(1e-4, 999.9999), default=0.01, private=False),
Parameter('mean_free_path', types=(int, float, str), Parameter('mean_free_path', types=(int, float, str),
default='SeahDench', allowed_values=('mono', 'SeahDench'), default='SeahDench', #allowed_values=('mono', 'SeahDench'),
doc=""" doc="""
The electron mean free path value. You can either: The electron mean free path value. You can either:
- Enter a value (in Angströms), in this case any value <=0 will disable the damping - Enter a value (in Angströms), in this case any value <=0 will disable the damping