gchemol-neighbors 0.1.3

Neighborhood search for chemistry
Documentation
Neighboring atoms search for chemistry.


# Features

-   backended by octree algorithm<sup><a id="fnr.1" class="footref" href="#fn.1">1</a></sup>.
-   supports periodic system.


# Benchmarks

![img](data/18/e98475-1852-4bd7-b282-d76991eb42e6/ase-nl.png)

-   test system: Zeolite CLO, containing 4704 atoms.


# References

-   New linear-scaling neighbor list (21 March 2018): [Building neighbor-lists — ASE documentation]https://wiki.fysik.dtu.dk/ase/ase/neighborlist.html


# Footnotes

<sup><a id="fn.1" href="#fnr.1">1</a></sup> <https://github.com/ybyygu/rust-octree>