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fix the bug that the coverage kinetics cannot be written to chemkin
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12Chao committed Jul 18, 2024
1 parent 9bc21d9 commit ac76967
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion rmgpy/chemkin.pyx
Original file line number Diff line number Diff line change
Expand Up @@ -1867,7 +1867,7 @@ def write_kinetics_entry(reaction, species_list, verbose=True, java_library=Fals
for species, cov_params in kinetics.coverage_dependence.items():
label = get_species_identifier(species)
string += f' COV / {label:<41} '
string += f"{cov_params['a']:<9.3g} {cov_params['m']:<9.3g} {cov_params['E'].value_si/4184.:<9.3f} /\n"
string += f"{cov_params['a'].value_si:<9.3g} {cov_params['m'].value_si:<9.3g} {cov_params['E'].value_si/4184.:<9.3f} /\n"

if isinstance(kinetics, (_kinetics.ThirdBody, _kinetics.Lindemann, _kinetics.Troe)):
# Write collider efficiencies
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