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Recently, I launched a 1.2 Million Atom simulation and it works stably! There is a performance hit which isn't surprising (benchmark numbers are from 1 nanosecond simulations on CUDA):
- 4070 Ti get…
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### Steps to reproduce
1. Set up/start Element from f-droid
2. Set notification method to unifiedPush (ntfy in my case)
3. Close Element
4. Ask somebody to write u a message
5. Check if there is …
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## Purpose
We want to implement distributed matrix multiplication to enable parallel online regridding in the coupler.
## Cost/Benefits/Risks
* Costs:
* Developer time
* Risks:
* Incorrect regrid…
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https://jakevdp.github.io/PythonDataScienceHandbook/04.08-multiple-subplots.html
**Linear Regression Derivation**
https://towardsdatascience.com/linear-regression-derivation-d362ea3884c2
**ASS*…
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This is a far reaching change that I would be rather conservative about. I'm happy to probe the community but maybe the ability to change the global configuration to include infinity is enough?
@op…
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Arguably, the transmission of the sensor data is the most battery-expensive part of a measurement cycle.
Could we decouple measuring and transmitting and measure between transmission intervals as we…
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Dear Khalak,
I found there are many clashes when aligning the decoupled structures of ligands in solvent into the apo state pocket. And some of them cannot be solved by just do a minimization and t…
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### Python version
Python 3.12.5
### Pymatgen version
2024.8.9
### Operating system version
Windows 11
### Current behavior
Value error when trying to make interfaces
### Expected Behavior
A …
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Hi,
I did some reading on distance function mapping and localization methods and I wondered if this has a problem with moving obstacles for feature/scan/(surface by your code?) matching.
A talk…
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### Plugin(s)
- [ ] Android Foreground Service
- [ ] Android Battery Optimization
- [ ] App Update
- [ ] Background Task
- [ ] Badge
- [ ] Bluetooth Low Energy
- [ ] Cloudinary
- [ ] Datetime Picker
…