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### Describe the bug
The LCAO calculation of daily test 004_Li128C75H100O75 is unstable.
[004_Li128C75H100O75.zip](https://github.com/deepmodeling/abacus-develop/files/12679264/004_Li128C75H100O75.z…
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Hi guys and gals,
first of all thanks for the great work in general - makes my life a lot easier.
I have recently been playing around a lot with the solve_ivp function and the related solvers.
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In svm_binary_svc_probability() function, random shuffle is applied on the train data before it is used in the 5-fold cross-validation process. The random shuffle is realized by the following codes:
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I am running the model with the following parameters:
> **_2000 number of steps
> 900 step size (seconds)
> 2 species interpolation method (pw constant = 1, pw linear = 2)
> 2 conditions…
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Introduction
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This is an issue to discuss how eigensolvers could be added to Ginkgo.
In general, eigensolvers compute an [eigendecomposition](https://en.wikipedia.org/wiki/Eigen…
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I just tried running the Hasegawa-Wakatani example with `periodicX = true` (also using `hw:modified=false`, but I don't think that's relevant here). It did run, but very badly until I also set the `IN…
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First I would like to thank the authors of CLP for providing this open-source solver.
I ran into a problem when using CLP, and I think it can produce incorrect solution under some situations.
He…
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Hi,
I am reporting a convergence issue with the omega transport equation of the k-ω SST turbulence model in Nalu-Wind. I’ve attached non-linear residual plots for NASA’s canonical case: the subsoni…
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@walkeranthonyp, Nathan Collier and I met up at the DOE Modeling PI meeting and had a fun discussion about improving the photosynthesis code. @walkeranthonyp has some more fundamental ways to improve…
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Hi @giaf
What is the recommended way of indicating that a constraints ins unbounded in a certain direction?
So far, I was simply relying into setting the upper/lower bound to a "reasonnably" low/h…