Skip to content

Commit 69121bb

Browse files
committed
properly parse metal out from SIDT adsorption tree specification
1 parent 69aed6f commit 69121bb

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

rmgpy/data/thermo.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1367,7 +1367,7 @@ def get_thermo_data(self, species, metal_to_scale_to=None, training_set=None):
13671367
if species.contains_surface_site():
13681368
try:
13691369
thermo0 = self.get_thermo_data_for_surface_species(species)
1370-
metal_to_scale_from = self.adsorption_groups.split('adsorption')[-1]
1370+
metal_to_scale_from = self.adsorption_groups.split('adsorption')[-1].replace("SIDT","",1)
13711371
if metal_to_scale_from != metal_to_scale_to:
13721372
thermo0 = self.correct_binding_energy(thermo0, species, metal_to_scale_from=metal_to_scale_from, metal_to_scale_to=metal_to_scale_to) # group adsorption values come from Pt111
13731373
return thermo0

0 commit comments

Comments
 (0)