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Koulb
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epc_ml_data

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epc_ml_data / 2_training /forces

63.9 MB

1 contributor

History: 2 commits

Koulb's picture

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e9e349d verified about 2 months ago

dfpt
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outputs
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_phonopy_freqs.json

145 Bytes
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_phonopy_freqs_ref.json

147 Bytes
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_phonopy_launcher.py

1.8 kB
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dataset.xyz

95 kB
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diamond_ase.nequip.pth

3.6 MB
xet

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diamond_ase_ref.nequip.pt2

10.3 MB
xet

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phonon_comparison.png

32.9 kB
xet

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phonon_comparison_ref.png

31.5 kB
xet

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phonon_slides.py

2.75 kB
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train.yaml

3.49 kB
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train_force.log

2.3 kB
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train_force.py

18.1 kB
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