This issue tracks the possibility to provide native support for pyscf as optional module in the Python API of dftd4.

Prior art:

• there seems to be a dftd3 extension for pyscf in https://github.com/pyscf/dftd3

Related issues:

• discussion regarding D3 and D4 dispersion corrections: D3 and D4 empirical dispersion corrections pyscf/pyscf#983
• issue regarding r²SCAN-3c: R2SCAN-3c pyscf/pyscf#825
• issue regarding dftd4 interface: Interface to dftd4 pyscf/dftd3#3