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Support DFTB+ skf file as SKTB init parameters #29

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QG-phy opened this issue Oct 12, 2023 · 0 comments · Fixed by #133
Closed

Support DFTB+ skf file as SKTB init parameters #29

QG-phy opened this issue Oct 12, 2023 · 0 comments · Fixed by #133
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QG-phy commented Oct 12, 2023

Background

there are many sk tb paramters on DFTG.org website. https://dftb.org/parameters/download
we can support this file as initialization for further training DeePTB models with NN corrections!

Describe the solution you'd like

add the feature of sk files to initialize sktb.

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feat(dftb): add support sk params from dftb skf files . QG-phy/DeePTB
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