Cv and Cp calculation - Githubissues

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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Open jacopo-lupi opened 1 year ago

jacopo-lupi commented 1 year ago

Hi dear developers. Is there a way to compute Cv and Cp at different temperatures with GoodVibes? This would be really helpful.

Many thanks