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Stand-alone property estimator #124
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Status: StaleThis issue is out-of-date and may no longer be applicableThis issue is out-of-date and may no longer be applicableType: Featureabandonedabandoned issue/PR as determined by actions botabandoned issue/PR as determined by actions botstalestale issue/PR as determined by actions botstale issue/PR as determined by actions bot
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Status: StaleThis issue is out-of-date and may no longer be applicableThis issue is out-of-date and may no longer be applicableType: Featureabandonedabandoned issue/PR as determined by actions botabandoned issue/PR as determined by actions botstalestale issue/PR as determined by actions botstale issue/PR as determined by actions bot
A stand-alone script to estimate thermochemical and transport (and solvation) properties would be helpful. I think there is one to estimate reactions; we could consider one script to do both. This should be documented, and have examples.
For now, people can use the website http://rmg.mit.edu/molecule_search (but that doesn't give chemkin formatted data) or make an input file with all the species marked as
reactive=False(perhaps this is all we need?! in which case just some instructions)