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The Lanczos algorithm may suffer from numerical instability, see discussion in e.g. https://en.wikipedia.org/wiki/Lanczos_algorithm.
The generous unit-test tolerances indicate numerical round-off err…
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I want to know how to get result state obtained by CC and EOM method.
I know PySCF will return the coefficients of excitation operators, by solving the CC/EOM equation, but I don't know exact the for…
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Hi,
I'm using the latest version of HiCExplorer, and I have had used version 3.6.* last year. The eigenvalues produced are completly different. I have read the code and commit info saying 3.7.2 is …
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I am learnt some knowledge by VASP_raman.py. Some questions were happened, and I hope I can ask for you.
When I do this app, it was showed this type, [get_modes_from_OUTCAR]: ERROR Couldn't find 'E…
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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.zi…
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I am trying to find the largest `K` eigenvalues of a real symmetric matrix, where `K` is unknown, but is such that their sum is greater than some value. I am using `SymEigsSolver`.
Is there some w…
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This is still work in progress.
So I thought a bit about the davidson solver api and I have the following ideas:
a) Eigenvalue selection/target.
We write a selection class, which can be eithe…
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I am trying to sample my own csi data and validate the spotFi algorithm. https://github.com/egaebel/lgtm/tree/master/csi-code
This is the code I use. But when I run the code using my own csi data samp…
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```
I tried this with my SVD4 branch.
In [52]: M = Matrix(((0,1),(1,0),(1,1)))
In [53]: P, Q, R = M.SVD()
In [54]: P
Out[54]:
⎡ ⎽⎽⎽ ⎽⎽⎽ ⎽⎽⎽⎤
⎢╲╱ 6 -╲╱ 2 -╲╱ 3 ⎥
⎢───── ────── ─────…
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can you add a function to calculate the eigen vectors and eigen values of a matrix?