When pyssian-thermo.py script reads an output with a total -1 charge, an error message (as depicted below) pops up:
I guess it might be due to the minus symbol?
Traceback (most recent call last):
File "/home/lmoran/Documents/VirtualEnvironment/python3/bin/pyssian-thermo.py", line 75, in
raise e
File "/home/lmoran/Documents/VirtualEnvironment/python3/bin/pyssian-thermo.py", line 72, in
U = potential_energy(GOF,args.Method)
File "/home/lmoran/Documents/VirtualEnvironment/python3/lib/python3.7/site-packages/pyssianutils/functions.py", line 74, in potential_energy
energy = GOF.get_links(508)[-1].energy
IndexError: list index out of range
I can send you an example file.
Thank you,
Lucía