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**Version of pMuTT**
1.2.21
**Describe the bug**
write_cti writes 0.5 for the sticking coefficient regardless of the entry in the input spreadsheet
**To Reproduce**
Run the attached python c…
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write_thermdat requires output to a file. Add an option to output to screen/console instead of file
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Add python code to parse chemkin input files such as tube.inp and others.
Cantera code can be used to parse gas.inp, surf.inp and thermdat files.
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Dear pMuTT file managers,
I am working on writing a surf.inp file using excel data as input. The reaction is ethane DH to produce ethylene and H2. The name of my excel file is 'Thermdat_2Ga_doped…
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- [x] [Thermdat section of Input and Output ](https://vlachosgroup.github.io/PyMuTT/io.html#id4) needs an example reading thermdat files
- [x] [Examples page](https://vlachosgroup.github.io/PyMuTT/ex…
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Dear developers,
I have successfully installed this package and I am trying to run the example in the folder: pMuTT/examples/VASP_to_thermdat/example1
When I issue the command `"python VASP_to_th…
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The current polynomial fitting function in the thermochemistry code is limited. Other version of the code by Lym and Wittreich have better functionality. We need to combine the best of these codes and…
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```
What steps will reproduce the problem?
1. download chemkin files from
http://ignis.usc.edu/Mechanisms/USC-Mech%20II/USC_Mech%20II.htm
2. run ck2cti
ck2cti --input=USC_Mech_ver_II.txt --thermo=the…
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```
What steps will reproduce the problem?
1. download chemkin files from
http://ignis.usc.edu/Mechanisms/USC-Mech%20II/USC_Mech%20II.htm
2. run ck2cti
ck2cti --input=USC_Mech_ver_II.txt --thermo=the…
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```
What steps will reproduce the problem?
1. download chemkin files from
http://ignis.usc.edu/Mechanisms/USC-Mech%20II/USC_Mech%20II.htm
2. run ck2cti
ck2cti --input=USC_Mech_ver_II.txt --thermo=the…