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There's an initial port of the prometheus methods to mirgecom [here](https://github.com/illinois-ceesd/mirgecom/pull/147/files#diff-fc0fa5db9cbc1ee49aadb12365e98ee998051498b28c31d5ee2b14b0257501ab). …
MTCam updated
3 years ago
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Very interesting package you are developing here. This is really just a cordial invitation to check out thermosteam: https://thermosteam.readthedocs.io/en/latest/index.html
I think there is some over…
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Hello, I wanted to calculate the Gasoline mixture properties mixed with varying water content. The composition would be
n-heptane/iso-octane/toulene/ethanol/water. Is it possible to calculate these…
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**Is your feature request related to a problem? Please describe.**
If you try to run ARC on species with unsupported elements/atom type in RMG, the ARC job crashes. While preventing these species in …
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It's time to start preparing for the RMG v3.0.0 release. This is a major release, with the biggest changes being Python 3 support and API naming style changes.
There will be an accompanying paper h…
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### Bug Description
When I'm trying to run an Arkane kinetics job, I'm getting the following error:
```
~/Code/RMG-Py/arkane/main.py in execute(self)
207 job.execute(output_dir…
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Doing a pip install fails during wheel building, and TravisCI also shows the build failing.
```
Building wheels for collected packages: pymatgen, retrying
Building wheel for pymatgen (setup.py…
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### Topic
General area which your question is related to.
- [ ] Installation of RMG
- [x] Running an RMG job
- [ ] Using RMG API
- [ ] Arkane (formerly CanTherm)
- [ ] Dependencies
- …
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While rerunning a frequency job is quite easy and with `g09.freqwrite` also quite easy to perform, another possibility to obtain thermochemistry data is using [freqchk](https://web.archive.org/web/201…
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### Bug Description
The latest build of #1561 failed with the following error:
```
======================================================================
FAIL: A general test for a PDep job in…