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Pull requests: graphcore-research/pyscf-ipu

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Update README.md
#133 opened Nov 4, 2023 by eltociear Loading…
Adding cycle count and benchmarks .
#132 opened Oct 28, 2023 by AlexanderMath Loading…
Usability fixes for mol_str, min interatomic dist
#130 opened Oct 19, 2023 by paolot-gc Loading…
Add performance tests
#129 opened Oct 19, 2023 by akrzgc Loading…
3 of 5 tasks
Lookup for binomial_factor
#125 opened Oct 11, 2023 by awf Draft
add algebraic trick for ipu_eigh initialisation
#104 opened Sep 21, 2023 by akrzgc Loading…
WIP: nuclear gradients
#101 opened Sep 20, 2023 by hatemhelal Draft
3 of 6 tasks
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