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Cannot convert 'complex' with non-zero imaginary component to 'double' #2878
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Description
Bug Description
Running an input.py file for ammonia and during the model check I get:
Making seed mechanism...
Performing final model checks...
/home/supervisor/Code/RMG-Py/rmgpy/rmg/main.py:1488: RuntimeWarning: divide by zero encountered in log
violator_list = rxn.check_collision_limit_violation(t_min=self.Tmin, t_max=self.Tmax, p_min=self.Pmin, p_max=self.Pmax)
Traceback (most recent call last):
File "/home/supervisor/Code/RMG-Py/rmg.py", line 4, in <module>
__main__.main()
File "/home/supervisor/Code/RMG-Py/rmgpy/__main__.py", line 102, in main
rmg.execute(**kwargs)
File "/home/supervisor/Code/RMG-Py/rmgpy/rmg/main.py", line 1244, in execute
self.check_model()
File "/home/supervisor/Code/RMG-Py/rmgpy/rmg/main.py", line 1488, in check_model
violator_list = rxn.check_collision_limit_violation(t_min=self.Tmin, t_max=self.Tmax, p_min=self.Pmin, p_max=self.Pmax)
File "rmgpy/reaction.py", line 1704, in rmgpy.reaction.Reaction.check_collision_limit_violation
File "rmgpy/reaction.py", line 1737, in rmgpy.reaction.Reaction.check_collision_limit_violation
File "rmgpy/kinetics/arrhenius.pyx", line 129, in rmgpy.kinetics.arrhenius.Arrhenius.get_rate_coefficient
File "rmgpy/kinetics/arrhenius.pyx", line 139, in rmgpy.kinetics.arrhenius.Arrhenius.get_rate_coefficient
TypeError: Cannot convert 'complex' with non-zero imaginary component to 'double' (this most likely comes from the '**' operator; use 'cython.cpow(True)' to return 'nan' instead of a complex number).How To Reproduce
Running the input file attached. I realise it is not the best input file or with the best libraries etc. but I have seen this issue pop up with other users input files.
Installation Information
Describe your installation method and system information.
- OS (include version if known): Ubuntu 24.04
- Installation method: Source
- RMG version information:
- RMG-Py: 3.3.0-54-g8f3b85d6b
- RMG-database: 3.3.0-2-g6bbe93aa2
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