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**What is your question?**
hello, I am developing a full precision attention backward kernel using cutlass, and get stuck in the use of ldmatrix and mma instructions for fp32.
My Gemm calculation is …
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# Boolean Terms with XOR are not analyzed correctly for MCDC coverage
## Criticality: HIGH
During qualification of MCDC coverage at Validas we found that
In the following example the term “(v0^v1) …
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**Describe the bug**
When using the `SpinDensity` observable coupled with `cell` and `corner` keywords for sampling a finite region (not the whole simulation cell), the obtained norm from `qdens` is …
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Hello,
mdtraj's image_molecules was failing for some of our systems, and I could trace the source of the bug to `make_whole` in [image_molecules.pxi](https://github.com/mdtraj/mdtraj/blob/fd80ab1c1…
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Better _pdb2sql_ has an option to select one alternative location for atoms of a residue
**Description of problem**
While checking the similarity of two PDBs (decoy & ref) when there are alternat…
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Yellow for hydrogen and dark pink for carbon feels rather weird.
Pure white and pure black is indeed hard to see and not ideal.
But muted version should work (as they do in other software).
Here …
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For mixins, should we allow Add to be selected, referencing the parent? The argument for that is that you often add several mixins to the same parent in a row. So it's a bit surprising to add one and …
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This issue comes as a followup to #987, as the due preparations are done, and everything is ready for the batch executions.
I did 5 runs with 5 folds at RNM=0.05 , so 25 calibrations in total. We w…
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Please create a colourscheme like the [One Dark theme](https://github.com/atom/one-dark-syntax) in Atom Text Editor.
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I am facing a pdos anomaly, as if we have Si2, we obtain two pdos contributions (the two silicon atoms), but if I do Al4, I obtain only one contribution. This is somehow strange as we should have four…