atomate2.cp2k.flows.coreΒΆ

Core VASP flows.

Classes

BandStructureMaker

Maker to generate Cp2k band structures.

DoubleRelaxMaker

Maker to perform a double CP2K relaxation.

HybridCellOptFlowMaker

Maker to perform a PBE restart to hybrid cell opt flow.

HybridFlowMaker

Maker to create hybrid flows.

HybridRelaxFlowMaker

Maker to perform a PBE restart to hybrid relax flow.

HybridStaticFlowMaker

Maker to perform a PBE restart to hybrid static flow.

RelaxBandStructureMaker

Make to create a flow with a relaxation and then band structure calculations.

TYPE_CHECKING

bool(x) -> bool