https://github.com/radi0sus/cshm-cc
Computes CShM (shape measures) and other geometric indices from crystallographic information files (CIFs), which may contain single or multiple entries, or from COD (Crystallography Open Database) entries.
https://github.com/radi0sus/cshm-cc
chemistry cif continuous-shape-measures coordination coordination-chemistry crystallography cshm geometry-index o octahedricity tau tau4 tau5 xyz xyz-files
Last synced: 7 months ago
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Computes CShM (shape measures) and other geometric indices from crystallographic information files (CIFs), which may contain single or multiple entries, or from COD (Crystallography Open Database) entries.
- Host: GitHub
- URL: https://github.com/radi0sus/cshm-cc
- Owner: radi0sus
- License: bsd-3-clause
- Created: 2025-03-21T18:54:45.000Z (7 months ago)
- Default Branch: main
- Last Pushed: 2025-03-21T19:18:05.000Z (7 months ago)
- Last Synced: 2025-03-21T19:46:28.782Z (7 months ago)
- Topics: chemistry, cif, continuous-shape-measures, coordination, coordination-chemistry, crystallography, cshm, geometry-index, o, octahedricity, tau, tau4, tau5, xyz, xyz-files
- Language: Python
- Homepage:
- Size: 0 Bytes
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0