calorine
calorine is a Python package for running and analyzing molecular dynamics (MD) simulations via GPUMD. It also provides functionality for constructing and sampling neuroevolution potential (NEP) models via GPUMD. The full documentation can be found at https://calorine.materialsmodeling.org/.
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Metadata
2 maintainers
Release files for calorine 4.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
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| calorine-4.0.tar.gz | 7.2 MB | Details |
Release files / calorine-4.0.tar.gz
| Download URL | calorine-4.0.tar.gz |
|---|---|
| Size | 7.2 MB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
ac4b02aae8f8b2b0774988bb8691e6556496fa3ec7bcb3d1ac6849557fa61d32
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twine/7.0.0 CPython/3.12.3
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