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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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glowfreq implementation #77

Open Tarcyrian opened 1 month ago

Tarcyrian commented 1 month ago

Hi,

I am trying to use glowfreq output files as I saw the flag in the source code, but the code doesn't seem to read the correct numbers. Could you maybe give me any pointers on this since the glowfreq flag is not mentioned in the manual?

Thanks