From e36373a57678f2631e7cc67c4e049af6ed876bac Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Tue, 30 Nov 2021 16:56:20 +0100 Subject: [PATCH] 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. --- src/msspec/parameters.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/msspec/parameters.py b/src/msspec/parameters.py index 493a279..17f8ac8 100644 --- a/src/msspec/parameters.py +++ b/src/msspec/parameters.py @@ -1539,7 +1539,7 @@ class CalculationParameters(BaseParameters): Parameter('cutoff_factor', types=(int, float), limits=(1e-4, 999.9999), default=0.01, private=False), Parameter('mean_free_path', types=(int, float, str), - default='SeahDench', allowed_values=('mono', 'SeahDench'), + default='SeahDench', #allowed_values=('mono', 'SeahDench'), doc=""" The electron mean free path value. You can either: - Enter a value (in Angströms), in this case any value <=0 will disable the damping