atomate2.forcefields.jobs

Job to relax a structure using a force field (aka an interatomic potential).

Functions

forcefield_job

Decorate the make method of forcefield job makers.

Classes

ForceFieldRelaxMaker	Base Maker to calculate forces and stresses using any force field.
ForceFieldStaticMaker	Maker to calculate forces and stresses using any force field.
TYPE_CHECKING	bool(x) -> bool