File tree Expand file tree Collapse file tree 1 file changed +2
-2
lines changed
Expand file tree Collapse file tree 1 file changed +2
-2
lines changed Original file line number Diff line number Diff line change @@ -215,8 +215,8 @@ cdef class SurfaceReactor(ReactionSystem):
215215 for species in self .species_index.keys():
216216 if species.is_isomorphic(molecule, strict = False ):
217217 species_index = self .species_index[species]
218- thermo_polynomials = parameters[' enthalpy-coefficients' ] + parameters[' entropy-coefficients' ]
219- self .thermo_coeff_matrix[sp_index, species_index] = [x.value_si for x in thermo_polynomials]
218+ thermo_polynomials = np.concatenate(( parameters[' enthalpy-coefficients' ], parameters[' entropy-coefficients' ]), axis = 0 )
219+ self .thermo_coeff_matrix[sp_index, species_index] = [x for x in thermo_polynomials]
220220 # create a stoichiometry matrix for reaction enthalpy and entropy correction
221221 # due to thermodynamic coverage dependence
222222 if self .thermo_coverage_dependence:
You can’t perform that action at this time.
0 commit comments