https://github.com/bdice/freud_boops_accuracy
Checking the accuracy of bond-orientational order parameters in freud against reference data from other codes.
https://github.com/bdice/freud_boops_accuracy
Last synced: 10 months ago
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Checking the accuracy of bond-orientational order parameters in freud against reference data from other codes.
- Host: GitHub
- URL: https://github.com/bdice/freud_boops_accuracy
- Owner: bdice
- Created: 2021-06-16T19:44:32.000Z (about 5 years ago)
- Default Branch: main
- Last Pushed: 2021-06-17T00:47:07.000Z (about 5 years ago)
- Last Synced: 2025-07-27T01:37:01.663Z (11 months ago)
- Language: Python
- Homepage:
- Size: 1.32 MB
- Stars: 0
- Watchers: 2
- Forks: 0
- Open Issues: 0
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Metadata Files:
- Readme: README.md
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README
# Tests for BOOP accuracy
This repository holds reference data and tests used to check the accuracy of bond-orientational order parameters in freud against reference data.
To generate text files for freud, run:
```bash
python calculate_boops.py Test_Configuration.dat
```
The file `test_values.py` includes tests written in pytest for checking the accuracy of freud's values compared to the reference codes "GC" and "RvD". To run tests:
```bash
pytest -v -s
```