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It is not possible to install this package on python 3.12 (released 2023-10-02) due to the limitation in `pyproject.toml` :
https://github.com/moble/spherical_functions/blob/96ecc3ee1c50d3c8f0d1da7…
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Dear kaldo Team,
I am trying to use the kaldo (wonderful package to do thermal transport simulations) to compute the thermal conductivity of a disordered crystal.
What interesting is that I fou…
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@David-Zagaceta will implement the descriptor detailed [here](https://github.com/hackingmaterials/matminer_examples/blob/master/notebooks/machine-learning/voronoi-ward-prb-2017.ipynb)
Please includ…
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Hello,
Firstly, thanks so much for creating this wonderful package and making it available for everyone. It is so well written and a pleasure to use!
Could you consider a slight edit to the `dq.wig…
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I found sh_rotation.py can't be run correctly and got this error.
File "/home/lkshpc/miniconda3/envs/pixelSplat/lib/python3.10/site-packages/e3nn/o3/_wigner.py", line 96, in wigner_D
return torc…
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Running `from escnn.group import *`, I get the following error:
```
>>> from escnn.group import *
Traceback (most recent call last):
File "", line 1, in
File "/home/key/.virtualenvs/pt1.1…
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Hey, it's me again.
While working with this library and debugging some of my code I found the following small issues which can lead to errors in future versions of jax
Note that some of the issu…
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Hi everyone, happy new year! Over the past year working in this repo, there are a list of things which I've picked out which might be helpful to implement.
1. `c2qa.util.avg_photon_num()` function …
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I have spent several days unsuccessfully attempting to get JDFTx to work with the CRAY environment and nvc++ compilers on ALCF's Polaris supercomputer. These include issues with not recognizing GSL 2.…
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The pasted code below demonstrates that mode-coupling matrices can be computed much more efficiently than it is currently done in `pspy`. The demo pasted below runs roughly ten times faster with the `…