snljty/GauEXTDFTD4 snljty/GauEXTDFTD4

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  • Language
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  • Created over 3 years ago
  • Updated over 3 years ago
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snljty/GauEXTDFTD4
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snljty

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Repository Details

an external interface for Gaussian to invoke Grimme's DFT-D4 for single-point energy, optimization (or frequency int later version,, the bug is not fixed yet).

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