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b3lyp-vwn5

Here is 1 public repository matching this topic...

forked from CMSI SMASH dev 2.30, using this repo to try and incorporate ddpcm, nothing is working, this is just holding the code for me whilst i work on it. I do NOT own any of this code, its very good fortran mind you. However, 2 electron integrals are complex and this will take ages.

  • UpdatedJun 25, 2024
  • Fortran

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