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Releases: deepmodeling/deepmd-kit

v1.1.2

20 Dec 19:37
53049b7
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New features:

  • GPU supported descriptor computation
  • Support ASE evaluation of deep potential
  • Trainable (true/false) descriptors

Bug fixings:

  • import warnings in common.py
  • relative force model deviation
  • freezing bug in se_ar

v1.1.1

09 Nov 15:59
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Bug fixing:

  • pass the warning of upper/lower index bound but do not correct the index.

v1.1.0

04 Nov 16:15
d735223
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New features:

  • Atom parameter
  • More robust data statistics
  • Relative force loss

Code structure:

  • Implement WFC and Polarizability by TensorModel
  • Select the appropriate shared library suffix based on the operating system

Bug fixings:

  • The minimal model devi when a proc has none local atom.
  • Correctly unset USE_CUDA_TOOLKIT