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DFTD3ΒΆ

Input File Description
dftd3/psithon2 Accesses basis sets, databases, plugins, and executables in non-install locations
dftd3/dftd3-energy Exercises the various DFT-D corrections, both through python directly and through c++
dftd3/dftd3-grad DF-BP86-D2 cc-pVDZ frozen core gradient of S22 HCN, calling Grimme’s dftd3 program for -D2 gradients

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