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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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Orca parsing error #53

Closed andre-cloud closed 2 years ago

andre-cloud commented 2 years ago

Hello,

I'm trying to parse an opt freq orca output by the program trows the following error

[ORCA berny_cis_c_freq.out ERROR] Encountered error when parsing.
[ORCA berny_cis_c_freq.out ERROR] Last line read: ----------------------------------------------------------------------------

ValueError: invalid literal for int() with base 10: '----'

Does someone know how to fix this?

Thanks so much