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Fix comments in species.py
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sevyharris authored and rwest committed Nov 27, 2024
1 parent 100d740 commit a3a67a1
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions rmgpy/species.py
Original file line number Diff line number Diff line change
Expand Up @@ -456,9 +456,11 @@ def to_cantera(self, use_chemkin_identifier=False):
label = self.label

if self.contains_surface_site() and element_dict["X"] > 1:
# for multidentate adsorbates, 'size' is the same as 'sites'? for some reason, cantera won't take the input 'size,' so will need to use 'sites'
# for multidentate adsorbates, 'size' is the same as 'sites'?
# for some reason,cantera won't take the input 'sites' so will need to use 'size'
ct_species = ct.Species(label, element_dict, size=element_dict["X"])
# hopefully this will be fixed soon, so that ct.Species can take a 'sites' parameter or that cantera can read input files with 'size' specified
# hopefully this will be fixed soon, so that ct.Species can take a 'sites' parameter
# or that cantera can read input files with 'size' specified
else:
ct_species = ct.Species(label, element_dict)

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