Skip to content

Commit

Permalink
Fix typo in warning message for TS energy check in check_rxn_e0 function
Browse files Browse the repository at this point in the history
  • Loading branch information
calvinp0 committed Dec 24, 2024
1 parent 13a7f02 commit f46e696
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion arc/checks/ts.py
Original file line number Diff line number Diff line change
Expand Up @@ -248,7 +248,7 @@ def check_rxn_e0(reaction: 'ARCReaction',
if r_e0 >= ts_e0 or p_e0 >= ts_e0:
reaction.ts_species.ts_checks['E0'] = False
if r_e0 + 1 >= ts_e0 or p_e0 + 1 >= ts_e0:
logger.warning('TS energy gas relative to one fo the wells is lower than 1 kJ/mol, skipping this TS')
logger.warning('TS energy gas relative to one of the wells is lower than 1 kJ/mol, skipping this TS')
reaction.ts_species.ts_checks['E0'] = False
else:
reaction.ts_species.ts_checks['E0'] = True
Expand Down

0 comments on commit f46e696

Please sign in to comment.