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s-dftd3 version 0.2.0
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@awvwgk awvwgk released this 17 Nov 13:24
v0.2.0
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awvwgk Sebastian Ehlert
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Initial version of the DFT-D3 reimplementation

  • supports molecular and 3D periodic input
  • rational (Becke–Johnson) and zero (Chai–Head-Gordon) damping available
  • threaded implementation using OpenMP
  • Fortran and C API access available
Assets 2
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