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Is the QUIP LAMMPS interface expected to work for potentials which do not implement a `local_virial`? I'm trying to use the QUIP TS potential (which does not have local virials) from LAMMPS and I get …
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**Describe the bug**
Hi I have a 10 cm thick cylinder of 0.25 cm radius that is cut up into 1 mm sections along the z axis, and inscribed in a square water phantom of 15x15x15 cm^3. I want to score t…
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Hi,
I was trying to run the tutorial (make_crack_1.py), however due to some change in library structure there are a lot of import errors. Can you update the tutorial code for the correct libraries?…
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- home: https://wavelinks.eu/explore (public view)
- Contains tables of:
- Projects
- Stakeholders
- Engagement methods
- Citizen Science
- Funding
- Policy & Legislation
- Servi…
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As Factorio 2.0 is released (quite soon from a software development point of view), I guess we need to prepare for this as well.
Some of the announced features will have (quite) some impact, I am t…
veger updated
1 month ago
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### Contact Details
srrakhun@microsoft.com
### Data request?
Networking emissions of g/GB. – We need to define this based on the architecture of the application. From the application analysis we wi…
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For example, I was trying to fit 2-body distance descriptor to methane dataset:
```
gap_fit atoms_filename=ch4.xyz sparse_separate_file=F gap={distance_2b cutoff=3.0 covariance_type=ard_se delta=2…
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Hi @edwintse @TomkUCL @lindapatio @jemimahaque
We need more about the project on the wiki - describing the story so far.
https://github.com/StructuralGenomicsConsortium/CNP4-Nsp13-C-terminus-B/…
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**Describe the Feature**
- What is the best architecture for modeling how to swap in and out *field-replaceable unit* or equipment modules in a vehicle ?
- See [this](https://en.wikipedia.org/wiki/F…
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**Submitting author:** @Energy-Efficient-AI (Zia Ur Rehman)
**Repository:** https://github.com/Energy-Efficient-AI/EnergyEfficientAI
**Branch with paper.md** (empty if default branch): main
**Version:…