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Wilhoit thermo enforces constant Cp for monoatomic species #3

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rwest opened this issue Oct 22, 2009 · 2 comments
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Wilhoit thermo enforces constant Cp for monoatomic species #3

rwest opened this issue Oct 22, 2009 · 2 comments
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stale stale issue/PR as determined by actions bot Status: Stale This issue is out-of-date and may no longer be applicable Type: Risk of Error

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@rwest
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rwest commented Oct 22, 2009

Things like O atom will (probably?) have incorrect thermo once they have been converted to Wilhoit form (and then onwards to NASA). Wilhoit uses the Cp0 and Cp_inf limits, which will both be 2.5*R for a monoatomic species.

Somebody should check our element atom enthalpy curves. (C, H, O, etc.)
@pierrelb pierrelb added the Status: Stale This issue is out-of-date and may no longer be applicable label Aug 28, 2015
rwest added a commit that referenced this issue Jun 6, 2023
@rwest
Fix typo in environment.yml
a9b7a3d 
This is a combination of 12 commits, as we tried everything under the sun to debug the CI.
But they all cancelled out when merged (apart from fixing a typo in a comment)

- This is the 1st commit message:
CI: trying to force ubuntu-20.04 instead of ubuntu-latest (temporary)
While we figure out what's happening, let's try an older ubuntu.
- This is commit message #2:
fixup! CI: trying to force ubuntu-20.04 instead of ubuntu-latest (temporary)
- This is the commit message #3:
Switch back to ubuntu-latest
But leave a 20.04 in the matrix build
- This is the commit message #4:
Trying libstdcxx-ng < 13 in Conda environment.
Trying to debug. If this works it should be put in docker file too.
Or, better, the real cause found and fixed.
- This is the commit message #5:
fix typo in env, undo ubuntu os changes, set gcc version in CI to 6
this system object of this version is being provided by gcc, and the
runners no longer come prepackaged with it since its old (?)
- This is the commit message #6:
it wasn't the gcc version
- This is the commit message #7:
it was the julia version, 1.9.0 is brokey
as reported at conda-forge/julia-feedstock#253
the latest release of julia (1.9.0) is brokey, don't use it (put !=1.9.0 in the environment file)
- This is the commit message #8:
make mac and ubuntu use the same cxx library
- This is the commit message #9:
but what if it was rdkit all along?
- This is the commit message #10:
Revert "but what if it was rdkit all along?" because it wasn't
- This is the commit message #11:
Revert "make mac and ubuntu use the same cxx library" cos it didn't work
- This is the commit message #12:
Revert "it was the julia version, 1.9.0 is brokey" but it wasn't
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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
@rwest
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rwest commented Jun 22, 2023

image
I think not a problem

@rwest rwest closed this as not planned Won't fix, can't repro, duplicate, stale Jun 22, 2023
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