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### Topic
General area which your question is related to.
- [ ] Running an RMG job
### Context
A clear and concise description what you're trying to do.
My aim is to generate …
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Correct standard states (`dG°(conc)`) are crucial for thermochemistry and chemical kinetics. It has been emphasized to be particularly important in the context of the degree of rate control analysis, …
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The binary installer for Linux linked on the main website fails when installing the pymatgen and wxpython packages. As a consequence, the binary files for larch and related programs are not created.
…
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**Describe the bug**
- Determination of ZPE plus enthalpy corrections for Ti(Cl)4 are being calculated with GFN2. The output is somewhat confusing, since I am unaware as to how the 'INT' term is calc…
rmw83 updated
4 years ago
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Hello,
I need some help with the set_vib_wavenumbers_from_outcar method to parse VASP frequencies from an OUTCAR file to a dictionary. I need a way to get automatically the right frequencies for a …
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## Current Behavior
Conda supplies their own linker, which does not correctly link the C-standard library under OpenSuse.
If I use the system's pip without anaconda everything works fine.
Rel…
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The topic tree allows for maximum flexibility when connecting topics to each other. This can lead to some crazy tree structures that involve complicated relationships between topics. This is great. It…
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Currently OpenMKM is based on Cantera 2.4. The newer version, Cantera 2.5, supports YAML format to specify the thermochemistry data. This is easy on the eye compared to the XML format. There is also a…
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I have installed aiida-core in a python venv and it is working fine.
However, when i try to install "aiida-quantumespresso" plugin using:
> pip install aiida-quantumespresso
into the aiida ven…
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Installed `robocrys` and `openbabel` in a conda env, and after trying `robocrys mp-856`, I get the following:
```bash
> Traceback (most recent call last):
> File "c:\users\sterg\anaconda3\envs\…