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Stand-alone property estimator #124

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rwest opened this issue Jun 14, 2013 · 1 comment
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Stand-alone property estimator #124

rwest opened this issue Jun 14, 2013 · 1 comment
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abandoned abandoned issue/PR as determined by actions bot stale stale issue/PR as determined by actions bot Status: Stale This issue is out-of-date and may no longer be applicable Type: Feature

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@rwest
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rwest commented Jun 14, 2013

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)

@pierrelb pierrelb added the Status: Stale This issue is out-of-date and may no longer be applicable label Aug 28, 2015
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This issue is being automatically marked as stale because it has not received any interaction in the last 90 days. Please leave a comment if this is still a relevant issue, otherwise it will automatically be closed in 30 days.

@github-actions github-actions bot added the stale stale issue/PR as determined by actions bot label Jun 22, 2023
@github-actions github-actions bot added the abandoned abandoned issue/PR as determined by actions bot label Jul 22, 2023
@github-actions github-actions bot closed this as not planned Won't fix, can't repro, duplicate, stale Jul 22, 2023
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abandoned abandoned issue/PR as determined by actions bot stale stale issue/PR as determined by actions bot Status: Stale This issue is out-of-date and may no longer be applicable Type: Feature
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