From ac76967caa951876a7ef14fdb7d9351e3c70baaf Mon Sep 17 00:00:00 2001 From: 12Chao Date: Wed, 17 Jul 2024 20:40:46 -0400 Subject: [PATCH] fix the bug that the coverage kinetics cannot be written to chemkin --- rmgpy/chemkin.pyx | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/rmgpy/chemkin.pyx b/rmgpy/chemkin.pyx index d28ee47ce0..f225f078d3 100644 --- a/rmgpy/chemkin.pyx +++ b/rmgpy/chemkin.pyx @@ -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