atomate2.cp2k.sets.core

Module defining core CP2K input set generators.

Classes

CellOptSetGenerator	Class to generate CP2K cell optimization sets.
HybridCellOptSetGenerator	Class for generating hybrid cell optimization input sets.
HybridRelaxSetGenerator	Class for generating hybrid relaxation input sets.
HybridStaticSetGenerator	Class for generating static hybrid input sets.
MDSetGenerator	Class to generate molecular dynamics input sets.
NonSCFSetGenerator	Class to generate CP2K non-self-consistent field input sets.
RelaxSetGenerator	Class to generate CP2K relax sets.
StaticSetGenerator	Class to generate CP2K static input sets.
TYPE_CHECKING	bool(x) -> bool