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I'm trying to find a way to clip a part of my splat, but I haven't really seen anything about this online. Has anyone had any luck with clipping? Is it possible with this library?
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I'm creating this issue as a place to discuss supporting non-Gaussian likelihoods.
There's been a fair amount of discussion on this for Poisson / Negative Binomial likelihoods (#337). This comes up…
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The following files use:
https://github.com/JorritMontijn/zetapy/blob/18333298bab40390d0f35868bcf0044204cabafb/zetapy/plot_dependencies.py#L13
https://github.com/JorritMontijn/zetapy/blob/18333298ba…
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Hi, I see the 3D Gaussians in your project page, several ellipsoids.
So how to visualize the density and scale?
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What is the purpose of doing this?
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Hi, I'm having some trouble when trying to open some .log files from a gaussian calculated transition state and trying to visualize the vibrations. It opens the structure but it doesn't recognise the …
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From the raw set of files for the gaussian database (UHF jobs), there are a few species, specifically cations of the transition metals row 4 (Z=22-30), that I am not sure how to add to the database.
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There is a class in the electronicparser metainfo x_gaussian_section_frequencies, which should hold the frequencies