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**Describe the bug**
Geometry optimizer leads to different results for `ifort @ ubuntu-20.04` and `gcc @ macOS-14.6.1`.
**To Reproduce**
Steps to reproduce the behaviour:
`xtb_dev C13H14.xyz …
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It's pretty consistent across multiple PRs. Windows on 9.6 takes ~5 times longer than other platforms/GHC versions.
. I'm trying to get the data but I can't seem to find the other parameters (up…
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### Plugin(s)
- [ ] Android Foreground Service
- [ ] Android Battery Optimization
- [ ] App Update
- [ ] Background Task
- [ ] Badge
- [ ] Bluetooth Low Energy
- [ ] Cloudinary
- [ ] Datetime Picker
…
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Hi,
I wanted to make sure that I understand the definition of the bias potential matrix correctly.
Assuming an umbrella sampling experiment with 4 windows A, B, C, D and 3 states 0, 1, 2. The restr…
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- Should we add the "official" paper to the website? https://www.sciencedirect.com/science/article/pii/S2211467X18300609
- And I also noticed that we haven't uploaded the latest presentations from t…
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Hi, I follow the instructions in Appendix A of your paper and run the code below. It runs slowly so I want to enable `jax.jit` for `apply_fn`, and simply add `apply_fn = jit(apply_fn)`. However, after…
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To give some context, I have a photo library of around 350k photos and videos.
Luckily, Lychee can import things per symlink and skip duplicates, which makes it good for having these photos in just o…
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Close compare county level emissions, VMT from different sources over time, including
- StreetLight
- MnDOT/WisDOT
- EPA NEI
- EPA LGGIT
- EPA MOVES
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# Staggered approach. First we are going to focus on transporting messages transparantely from the worker to the frontend without any type of parsing by OMOTES. There is currently not enough support n…