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DILUTE Error with Latest Stoichiometry Update #515

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merged 7 commits into from
Jan 7, 2024
Merged

DILUTE Error with Latest Stoichiometry Update #515

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2b6166e
Allowed for stoichometric coefficients in the chemical mechanism
AlfredMayhew Dec 22, 2023
0405d9a
added stoichometry to mechanism.prod and .reac files in tests to allo…
AlfredMayhew Dec 23, 2023
62d222d
Added a test for the stoichometry based on the spec_model_1 test
AlfredMayhew Jan 3, 2024
c34cdaa
Avoided errors in creation of .fac from .kpp in the case that the pat…
AlfredMayhew Jan 3, 2024
0cab63b
Updated test to use the correct .cmp files and allow the test to pass
AlfredMayhew Jan 4, 2024
cdae417
Fixed error when trying to run with DILUTE as no stoich coeffs were l…
AlfredMayhew Jan 5, 2024
0840c46
Merge branch 'AtChem:master' into stoich
AlfredMayhew Jan 5, 2024
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2 changes: 1 addition & 1 deletion build/mech_converter.py
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Original file line number Diff line number Diff line change
Expand Up @@ -481,7 +481,7 @@ def convert_to_fortran(input_file, mech_dir, mcm_vers):
for spec in speciesList:
reactionNumber += 1
mech_reac_list.append(str(reactionNumber) + ' ' \
+ str(speciesList.index(spec) + 1) + '\n')
+ str(speciesList.index(spec) + 1) + ' 1.0\n')

with open(os.path.join(mech_dir, 'mechanism.prod'), 'w') as prod_file:
# Output number of species and number of reactions.
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