Typo line 453 GoodVibes.py "trhular"

patonlab / GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

http://www.patonlab.colostate.edu

MIT License

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Typo line 453 GoodVibes.py "trhular" #1

Closed DSVA closed 7 years ago

DSVA commented 7 years ago

In line 453 there's a typo in the error message

else: log.Fatal("\n FATAL ERROR: Wrong number of arguments used.\n Correct format: GoodVibes.py (-qh grimme/trhular) (-f cutoff_freq) (-t temp) (-c concn) (-v scalefactor) g09_output_file(s)\n")

truhlar is the correct command, not trhular.

bobbypaton commented 7 years ago

Whoops! Reverted back to an old typographical error when updating something else. Thanks for spotting, now fixed