8000 Add baseline performance benchmark for basis and Hamiltonian construction tasks · Issue #3 · valence-labs/mess · GitHub
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Add baseline performance benchmark for basis and Hamiltonian construction tasks #3

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hatemhelal opened this issue Sep 23, 2024 · 0 comments
Open

Add baseline performance benchmark for basis and Hamiltonian construction tasks #3

hatemhelal opened this issue Sep 23, 2024 · 0 comments
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Supporting batching over conformations requires the ability to generate Hamiltonians for a number of different structures. At the moment the initialisation of the basis and building the Hamiltonian have been flagged as initial bottlenecks. This task is to add a baseline initialisation benchmarks for these two tasks for a couple reasonably sized systems.
@hatemhelal hatemhelal self-assigned this Oct 1, 2024
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