Add thermo_coverag_dependence as an instance for class RMG

ReactionMechanismGenerator · Apr 2, 2024 · 5411e20 · 5411e20
1 parent 8d7756a
commit 5411e20
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/rmgpy/rmg/main.py b/rmgpy/rmg/main.py
@@ -191,6 +191,7 @@ def clear(self):
  self.surface_site_density = None
  self.binding_energies = None
  self.coverage_dependence = False
+ self.thermo_coverage_dependence = False
  self.forbidden_structures = []
 
  self.reaction_model = None
@@ -275,6 +276,7 @@ def load_input(self, path=None):
  self.reaction_model.core.phase_system.phases["Surface"].site_density = self.surface_site_density.value_si
  self.reaction_model.edge.phase_system.phases["Surface"].site_density = self.surface_site_density.value_si
  self.reaction_model.coverage_dependence = self.coverage_dependence
+ self.reaction_model.thermo_coverage_dependence = self.thermo_coverage_dependence
 
  self.reaction_model.verbose_comments = self.verbose_comments
  self.reaction_model.save_edge_species = self.save_edge_species