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Hello
I am wondering if I can discuss a problem I encounter right now by going through what I have and what I did with you. I would like to see if there are step I done incorrectly.
I have SE-EP…
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Possibly related to #2083.
I'm trying to perform a TD calculation on a simple molecule of N-Me-acetammide.
This is my script:
`from pyscf import gto
from pyscf import scf, dft, tddft
import nu…
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参考来源：
```
https://blog.csdn.net/weixin_43694096/article/details/124443059
```
注意力机制（Attention Mechanism）源于对人类视觉的研究。人会选择性地关注所有信息的一部分，同时忽略其他可见的信息。注意力机制主要有两个方面：决定需要关注哪一部分，分配有限的信息处理资源给重要的部分。
注意力机制的分类…
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Noticed first in the Applications case Morison example, the frequency, spectrum, amplitude, of irregular waves are incorrect in the morison example: seems to be a problem in identifying the frequency …
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When I run Palace (v0.13.0-21-gfb480ff on Ubuntu 24.04) with the tutorial example “Crosstalk Between Coplanar Waveguides” for frequencies higher than 30GHz, I get abnormally big positive values for ab…
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I've noticed a peculiar behavior when exploring the example `gcpw_blocking_cap.py`. By default, the simulation frequency range is:
req = np.arange(0, 18e9, 1e7)
And pyems is able to generate…
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v16-19x19_000665-diligent_converted_quantized.gz
https://drive.google.com/open?id=1Cdfyt7tzlBpWKx2D0zToS-qVgD4goyvl
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The task is to select Slater Determinants based on a given cost function.
There are methods for selecting SDs based on [excitation level](https://github.com/theochem/PyCI/blob/master/pyci/excitation…
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Hi, I tried simulating in HallThruster.jl with a molecular propellant. But, no ionization rate is seen in my plots (it's basically zero). can you help in resolving this issue? And if possible, could…
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---
id: copasi
version: 4.44.295
specificationsUrl: https://raw.githubusercontent.com/biosimulators/Biosimulators_COPASI/a3afb9740dc5b49613b538edbf8968276614078d/biosimulators.json
specificationsPatch…