torch_sim.neighbors.alchemiopsΒΆ

Alchemiops-based neighbor list implementations.

This module provides high-performance CUDA-accelerated neighbor list calculations using the nvalchemiops library. Supports both naive N^2 and cell list algorithms.

nvalchemiops is available at: https://github.com/NVIDIA/nvalchemiops

Functions

alchemiops_nl_cell_list

Compute neighbor lists using Alchemiops cell list algorithm.

alchemiops_nl_n2

Compute neighbor lists using Alchemiops naive N^2 algorithm.

Classes

ALCHEMIOPS_AVAILABLE

bool(x) -> bool