gchemol-neighbors
| Crates.io | gchemol-neighbors |
| lib.rs | gchemol-neighbors |
| version | 0.1.3 |
| source | src |
| created_at | 2020-02-18 00:18:51.850674 |
| updated_at | 2023-05-21 04:28:13.763151 |
| description | Neighborhood search for chemistry |
| homepage | https://github.com/gchemol/neighbors |
| repository | https://github.com/gchemol/neighbors |
| max_upload_size | |
| id | 210193 |
| size | 801,409 |
Wenping Guo (ybyygu)
documentation
README
Neighboring atoms search for chemistry.
Features
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backended by octree algorithm1.
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supports periodic system.
Benchmarks
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test system: Zeolite CLO, containing 4704 atoms.
References
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New linear-scaling neighbor list (21 March 2018): Building neighbor-lists — ASE documentation