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openmm / NNPOps Public

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CUDA implementation of ANISymmetryFunctions#4

Merged

peastman merged 5 commits intomasteropenmm/NNPOps:masterfrom cudaopenmm/NNPOps:cudaCopy head branch name to clipboard

Sep 28, 2020

+968-264

Conversation Commits5 (5)Checks Files changed

Commits

Commits on Sep 23, 2020

Beginning of CUDA implementation
peastman
committed
Compute angular symmetry functions with CUDA
peastman
committed

Commits on Sep 28, 2020

CUDA implementation of derivatives
peastman
committed
Avoid unnecessary global memory access
peastman
committed
Code simplification
peastman
committed

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