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When is the first time the material in this lecture is referenced?
If it's from a much later lecture, let's move it down to just in front of that lecture.
jstac updated
7 months ago
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can you add a function to calculate the eigen vectors and eigen values of a matrix?
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On v0.1.25 on OSX, I get the following error when computing gradients from the following jit-compiled function.
```python
import numpy as onp
import jax.numpy as np
from jax import grad, jit
…
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Hello, first of all, thank you for sharing this kind of model.
I have a question regarding the development of this model, particularly about the collapse of the dimension. Do you use any other indi…
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I want to identify the symmetry operations that may be protecting the crossings. I am using VASP. When I run the command "irrep -isymsep=6 -plotbands -code=vasp -spinor -Ecut=350 -IBstart=40 -IBend=41…
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I'm working with a symmetric graph and assuming that somewhere that is causing an error. This is not intended behavior, correct?
![image](https://user-images.githubusercontent.com/15078251/16632471…
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### 🚀 The feature, motivation and pitch
I'm using torch.linalg.eigh, but I have found it to be very slow compared to the tensorflow implementation of the same method.
See the following code for t…
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**Describe the bug**
When trying to optimize only H-Atoms, xtb does not respect the fixation of atoms in place anymore. I tested also 6.7.0, where this issue is not occurring.
**To Reproduce**
`x…
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Hi,
I think it could be great to introduce the support for eigenvalue solvers. I noticed that the implicit restarted method has already been passed. The modern faster method should be the Krylov-Sc…
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Hi @dhorvath27x, iam going to test as it is in
[TestHor1.pdf](https://github.com/dicakova/emt-switch/files/236422/TestHor1.pdf)