Andrew Fitzgibbon
Andrew Fitzgibbon
Calling parsefile with use_mmap=true leaves the file open until the finalizer for the result of mmap_array is called. This can be some time later, so the file typically can't immediately...
Once we have a check for performance regressions (#98) it would be good to - [ ] Unify naming of mask, occupancy - [ ] Replace `(eigvects * occupancy) @...
Plumbed in the lookup table from #123, and parametrized tests to compare performance. TLDR: minimal effect on runtime on CPU/IPUModel, useful improvement in compile time. ``` $ pytest -k test_nuclear...
This issue represents the list of notebooks we would like to produce - [x] Dataset generation from ICML 2023 workshop - [ ] nanoDFT: Minimal but fast DFT for teaching/experimentation...
The ERI tensor has numerous redundancies: 1. permutation invariances: E_ijkl = E_jikl etc 2. orthogonalities: E_ijkl = 0 for some combinations of (i,j) in some basis sets 3. sparsity: E_ijkl...
I would like to use the `Adam` and `Dataset` components of this package in another open-source package. Is that OK? In general, what is the license of this code?