GoodVibes
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patonlab
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Hi dear developers. Is there a way to compute Cv and Cp at different temperatures with GoodVibes? This would be really helpful. Many thanks
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...
Hi, This week I downloaded a copy of this software, it's fantastic thanks for open-sourcing - also for inbuilding NWChem support. I was running the current version of GoodVibes with...
