Meredith-Lab / volcalc

volcalc: Calculate Volatility of Chemical Compounds
https://meredith-lab.github.io/volcalc/
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Allow specifying temperature #115

Open Aariq opened 3 months ago

Aariq commented 3 months ago

Would close #41

Additions

Bug fix:

Aariq commented 3 months ago

I need to add some tests, but otherwise I think this is ready to go