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Be able to compare (two) runs to one another.
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Hi everyone!
I recently tried to run a QM/MM calculation with 1359 atoms and 4 singlet states,
that crashed with a surprising segfault. After a (longer) investigation,
the culprit seemed to be th…
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In QE 7.1 the DFT+U input structure was changed. Now one has to specify a (n,l) channel on which to apply U/J. E.g. "Fe-3d". It seems that the code actually looks for "3d" somewhere in the pseudopoten…
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Hello, I get some problems when I run your simulation with bend fibers. I visualize the TM under PIM or LP basis when the bend curvature changes, but I get results of diagonal orthogonal TM varing pat…
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**Describe the proposal**
Building on the particle infrastructure in https://github.com/quokka-astro/quokka/issues/491, it should be possible to add the capability for these particles to accrete mass…
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Many atomic-orbital codes such as [ADF](https://www.scm.com/product/adf/) and [FHI-aims](https://fhi-aims.org/) solve Poisson's equation numerically with the scheme of Becke and Dickson from [J. Chem.…
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Murat Yessenov, Justin Free, Zhaozhong Chen, Eric G. Johnson, Martin P. J. Lavery, Miguel A. Alonso, Ayman F. Abouraddy
> Optical wave packets that are localized in space and time, but nevertheless…
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- Provide the theoretical framework and mathematical formalism that the code is based on, including the use of plane-wave basis sets and pseudopotentials.
- Develop a Block Davidson algorithm for sol…
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### HW 6 Objectives
1. Use principles of angular momentum conservation to figure out the time evolution of the disk radius during disk formation.
2. Understand how the assumption of initial cloud ro…
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- [ ] Solid rocket motor (constant power, cannot be turned off)
- [ ] Explosive
- [ ] Liquid fueled rocket motor thrust control
- [ ] Rocket engine thrust vectoring
- [ ] Fins
- [x] Wheels
- [x]…