atomate2.forcefields

Tools and functions common to all forcefields.

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.
neb	Run NEB with ML forcefields.
schemas	Schema definitions for force field tasks.
utils	Utils for using a force field (aka an interatomic potential).