atomate2.forcefields

Tools and functions common to all forcefields.

Classes

MLFF	Names of ML force fields.
TYPE_CHECKING	bool(x) -> bool

Modules

flows	Flows for forcefields.
jobs	Job to relax a structure using a force field (aka an interatomic potential).
md	Makers to perform MD with forcefields.
schemas	Schema definitions for force field tasks.
utils	Utils for using a force field (aka an interatomic potential).