PDEP Index Out of Bounds

[SohanKale2005]

Bug Description

I ran into this bug when running RMG:

Traceback (most recent call last):
File "/home/sohan/RMG-Py/rmg.py", line 4, in
main.main()
File "/home/sohan/RMG-Py/rmgpy/main.py", line 102, in main
rmg.execute(**kwargs)
File "/home/sohan/RMG-Py/rmgpy/rmg/main.py", line 1066, in execute
self.reaction_model.enlarge(objectToEnlarge, requires_rms=requires_rms)
File "/home/sohan/RMG-Py/rmgpy/rmg/model.py", line 724, in enlarge
self.update_unimolecular_reaction_networks()
File "/home/sohan/RMG-Py/rmgpy/rmg/model.py", line 1980, in update_unimolecular_reaction_networks
network.update(self, self.pressure_dependence)
File "/home/sohan/RMG-Py/rmgpy/rmg/pdep.py", line 882, in update
K = self.calculate_rate_coefficients(Tlist, Plist, method)
File "/home/sohan/RMG-Py/rmgpy/pdep/network.py", line 272, in calculate_rate_coefficients
self.apply_modified_strong_collision_method()
File "/home/sohan/RMG-Py/rmgpy/pdep/network.py", line 924, in apply_modified_strong_collision_method
self.K, self.p0 = msc.apply_modified_strong_collision_method(self, efficiency_model)
File "rmgpy/pdep/msc.pyx", line 44, in rmgpy.pdep.msc.apply_modified_strong_collision_method
File "rmgpy/pdep/msc.pyx", line 133, in rmgpy.pdep.msc.apply_modified_strong_collision_method
IndexError: Out of bounds on buffer access (axis 0)

How To Reproduce

Run RMG with this attached input file:

input.py

Expected Behavior

It will run normally until it reaches the out-of-bounds error and crashes.

Installation Information

• OS: Ubuntu 18
• Installation method: Source
  • RMG-Py: e85242a