atomate2.cp2k.jobs.core

Core jobs for running CP2K calculations.

Classes

CellOptMaker	Maker to create CP2K cell optimization jobs.
HybridCellOptMaker	Maker for cell opt.
HybridRelaxMaker	Maker for relax hybrid jobs.
HybridStaticMaker	Maker for static hybrid jobs.
MDMaker	Maker for creating MD jobs.
NonSCFMaker	Maker to create non self consistent field CP2K jobs.
RelaxMaker	Maker to create CP2K relaxation jobs.
StaticMaker	Maker to create CP2K static jobs.
TYPE_CHECKING	bool(x) -> bool
TransmuterMaker	A maker to apply transformations to a structure before writing the input sets.