atomate2.forcefields.flows.relaxΒΆ

Flows to combine a force field relaxation with another job (e.g. DFT relaxation).

Classes

CHGNetVaspRelaxMaker

Maker to (pre)relax a structure using CHGNet and then run VASP.

M3GNetVaspRelaxMaker

Maker to (pre)relax a structure using M3GNet and then run VASP.

TYPE_CHECKING

bool(x) -> bool