FFonons
Analysis of foundation model force fields (FF) to predict harmonic phonons.
See janosh.github.io/ffonons. Very much work in progress! 🚧
Example: Phonon bands and DOS for mp-2691 comparing CHGNet v0.3.3 and MACE-MP-0 with PBE reference data from Togo's PhononDB (excluding Born non-analytic corrections):
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1 maintainer
Release files for ffonons 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| ffonons-0.1.0.tar.gz | 25.7 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| ffonons-0.1.0-py2.py3-none-any.whl | Python 3, Python 2 | none | any | Details |
Total release size: 54.7 kB
Release files / ffonons-0.1.0.tar.gz
| Download URL | ffonons-0.1.0.tar.gz |
|---|---|
| Size | 25.7 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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Release files / ffonons-0.1.0-py2.py3-none-any.whl
| Download URL | ffonons-0.1.0-py2.py3-none-any.whl |
|---|---|
| Size | 29.1 kB |
| Tags | Python 2 Python 3 |
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SHA-256 checksum How to use checksums |
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No |
| Uploaded via |
twine/4.0.2 CPython/3.11.6
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