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sevyharrisrwest
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Fix comments in species.py
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rmgpy/species.py

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -456,9 +456,11 @@ def to_cantera(self, use_chemkin_identifier=False):
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label = self.label
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if self.contains_surface_site() and element_dict["X"] > 1:
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# 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'
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# for multidentate adsorbates, 'size' is the same as 'sites'?
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# for some reason,cantera won't take the input 'sites' so will need to use 'size'
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ct_species = ct.Species(label, element_dict, size=element_dict["X"])
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# 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
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# hopefully this will be fixed soon, so that ct.Species can take a 'sites' parameter
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# or that cantera can read input files with 'size' specified
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else:
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ct_species = ct.Species(label, element_dict)
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