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Mesh offsetting seems very useful for adding tolerance to parts, especially when combined with face selection.
~~I wonder if I can just offset each vertices according to their tangent? Although we…
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Now that Apple [deprecated OpenCL support in `osx` 10.12]() and [NVIDIA will no longer provide CUDA support for `osx` after CUDA 10.2](https://docs.nvidia.com/cuda/cuda-toolkit-release-notes/index.htm…
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thank you very much I managed to install without cuda however it doesn't load hip and only loads opencl
I tested the following linux kernels : 5.15.0-52-generic , 6.0.3-060003-generic on Ub…
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We run into performance problems / crashes when attempting to run NWX with large test data (>500 atoms). This issue is meant to track these problems as they show up and collect relevant repo-specific …
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I've been working on making GROMACS faster on the Apple GPU, and I recently [came across a need to work with VkFFT](https://gitlab.com/gromacs/gromacs/-/merge_requests/3162). The software package was …
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@cmsmith91 we have a new phylogenetic distance matrix for the bees using the Henriquez_Piskulich tree, also using an updated version of globi_allNamesUpdated.csv that includes the generic changes from…
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I have a SCIO scnner without a developer license, I'm following your project I launched "python read_spectrum.py" getting errors in file1.txt!
is there a guide on how to make SCIO work with your proj…
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I've been working on true Float64 emulation in Metal, but I thought of a near-term shortcut where Kahan Summation might be possible. The Metal compiler optimizes away attempts to emulate FP64 through …
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Just moving this to GitHub (low priority): Consider adding to “Molecular clock estimates (based on three independent subsamples)” at the very end: “BA.2. appears to have a higher rate of mutation (red…
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Dear developers,
Do you have any plans for implementing double-hybrid density functionals in the near future?