torch_sim.neighbors.alchemiopsΒΆ

Alchemiops-based neighbor list implementations.

This module provides neighbor lists via nvalchemiops: prefer the PyTorch subtree (nvalchemiops.torch.neighbors), typical for CUDA builds, and fall back to nvalchemiops.neighborlist when that import path is missing (CPU-oriented API with the same call surface). Supports 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