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It might be useful to have a SOAP gene. i.e. have soprano calculate (possibly via another package such as https://github.com/SINGROUP/dscribe) standard machine learning descriptors such as SOAP.
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@jagot suggested Condon–Shortley:
> If you choose Condon–Shortley (which is commonly used by physicists), you could employ https://github.com/Jutho/WignerSymbols.jl for exact angular integrals. Thi…
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We want to do scattering of three pions, starting with maximal isospin-3-component to have the simplest of these cases. This projection code here seems to be limited to I=1 I₃=1 and L=1. Perhaps I₃ is…
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Right now, CG coefficients are computed not once but thrice at every TP call, and every inhomogeneous `IrrepsArray.__mul__` call
I'm not sure to understand the 3x part completely, though I guess it…
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Hi Fabian,
When I use se3-transformer for my dataset. I find it seems quite difficult for the model to fit the training data. To understand why, I create a simple task in the following way.
I ge…
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I have encountered an issue where the `sympy.physics.quantum.cg.CG` function and the `py3nj.clebsch_gordan` function return different results for the same inputs.
Here is a minimal reproducible exam…
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When using this tag, how are the functions truncated?
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[vec_clone](https://github.com/Cytnx-dev/Cytnx/blob/fa4596e1620cc304f698286905818a2118b2bd8e/include/utils/vec_clone.hpp#L4) without given `locators` does the same thing with `std::copy`, `vector` ass…
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I am writing a program which involves adding two `RationalRoot(...)` numbers. The resultant sum can always be expressed as `√(a//b)`. When the resultant sum, `s`, is an irrational number, like `s = 0.…
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I want to understand what is under the hood of the TensorProduct function.
Here is my code:
```
import torch
from e3nn import o3
import numpy as np
torch.manual_seed(0)
irreps_in1 = o3.Irreps…