Batch Incremental Weights

proteneer / timemachine

Differentiate all the things!

Other

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Closed badisa closed 8 months ago

badisa commented 9 months ago

Batches incremental weights, appears to offer up to a 20x speed up (k_atom_by_atom_energies is the bottle neck). Tried going out to 10k, didn't show improvement.

timings

timings_speed_up

proteneer commented 9 months ago

Did a brief pass (will do one more extensively once ready for review), can you explain the "Hacky" part in your description?

badisa commented 9 months ago

Did a brief pass (will do one more extensively once ready for review), can you explain the "Hacky" part in your description?

Added, but mostly just that I had just gotten this to pass the tests and hadn't cleaned up/commented some aspects of the code that weren't clean