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Matrix.h struggles with matrices that have both large and small eigenvalues. I searched on ChatGPT how this problem is generally solved:
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### š Describe the bug
Calling `torch.linalg.eigh` on a CUDA tensor fails, but the computation succeeds when the tensor is on the CPU.
I have experienced this issue on CUDA 11.6, 11.7 and 11.8.
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The functions for sampling random numbers from a multivariate normal distribution:
https://numpy.org/doc/stable/reference/random/generated/numpy.random.Generator.multivariate_normal.html
Take as inpā¦
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From what I understand, these examples start the post-HF calculation from a set of PBE orbitals. They proceed on a fairly large number of GPU nodes, yet they begin with a very expensive HF SCF which mā¦
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Hi. I am working in a project using PySCF, and I need to calculate the matrix element between two arbitrary CI vectors, $` \langle \Phi_i | \hat H | \Phi_j \rangle `$ .
I am using CASSCI, actually. ā¦
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I am running into a lot of errors using a small, but wide dataset on an 8GB H2O cluster. I don't think memory should be a problem, but perhaps that's the issue, or perhaps it's something else.
Thrā¦
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Hello!
The following question came up when I was running and using K-SpecPart, and I hope someone can help answer it. The version I use of julia is version 1.6.6 (2022-03-28) because I didn't find veā¦
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### What is the expected enhancement?
Add functions to calculate [PageRank](https://en.wikipedia.org/wiki/PageRank) and [HITS](https://en.wikipedia.org/wiki/HITS_algorithm) to expand the retwā¦
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As pointed out by Tao Jin on the mailing list, the file `source/lac/lapack_full_matrix.cc` contains code that prints errors to the console -- for example this:
```
// Negative return value impliesā¦
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### Description
Hello! I am using JAX for a project that involves working with Hermitian matrices. I noticed some strange behavior of the function `jax.numpy.linalg.eigh` for real matrices cast as ā¦