1 unstable release

0.1.2 Jan 17, 2023
0.1.1 Feb 19, 2022
0.1.0 Mar 10, 2020
0.0.7 Feb 18, 2020

#168 in Science

Download history 17/week @ 2022-12-01 97/week @ 2022-12-08 21/week @ 2022-12-15 46/week @ 2022-12-22 23/week @ 2022-12-29 27/week @ 2023-01-05 29/week @ 2023-01-12 52/week @ 2023-01-19 36/week @ 2023-01-26 80/week @ 2023-02-02 54/week @ 2023-02-09 92/week @ 2023-02-16 75/week @ 2023-02-23 48/week @ 2023-03-02 20/week @ 2023-03-09 41/week @ 2023-03-16

189 downloads per month
Used in 15 crates (via gchemol-core)

GPL-3.0 license

200KB
293 lines

Neighboring atoms search for chemistry.

Features

  • backended by octree algorithm.
  • supports periodic system.

Benchmarks

img

  • test system: Zeolite CLO, containing 4704 atoms.

References

Footnotes

https://github.com/ybyygu/rust-octree

Dependencies

~11–17MB
~303K SLoC