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Hello,
I think it might also be beneficial for users to have a direct example showing how to extract and register the determinants from a PySCF script.
For instance, I not only needed to confirm…
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A suggestion for src/arraymancer/linear_algebra/decomposition.nim: Seems that the computation of the determinant of a matrix is missing so far. It could be easily achieved by means of the LU-decomposi…
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Hi!
I was reading the instructions to install Calcpad on Linux and I noticed an error on matrix determinant calculation shown in [CLI screenshot example](https://github.com/Proektsoftbg/Calcpad/raw…
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Compute the determinant (for square matrices).
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Hello,
I am relatively new to using QuantumPackage, and I am encountering an issue during iterative calculations aimed at approximating the Full Configuration Interaction (FCI) energy. Below, I d…
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Hi,
I’m trying to use the CAT12 toolbox to compute DBM maps from T1w images. I used the default parameters and saved the Jacobian determinant map. The resulting map seems to have an issue in which …
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### Why are we doing this?
As of right now, there is no way within our custom query workflow to change what social determinants of health populate for Hyper Unlucky.
Eventually this would also hel…
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The algorithm introduced in #257 spends most of its time computing many determinants. There are more efficient algorithms described in the following references:
- https://arxiv.org/abs/2210.05871
…
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A question please: how do I go about calculating the log-determinant of an HMatrix? Thanks.
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**Describe the issue**
Crest is capable of finding MECP's - is it possible to perform conformational sampling in excited states?
In the latter case, the excited determinants are used according to [[…