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deepmodeling / DeePTB

DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
GNU Lesser General Public License v3.0
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feat(command): add cskf command to collect the skfiles into a pth database #134

Closed QG-phy closed 6 months ago

QG-phy commented 6 months ago
  1. add cskf command to collect the skfiles into a pth database
  2. add MoS2 example