atomate2.cp2k

Module for cp2k workflows.

Modules

builders	Module for CP2K builders.
drones	Drones for parsing VASP calculations and related outputs.
files	Functions for manipulating CP2K files.
flows	Module for CP2K flows.
jobs	Module for CP2K jobs.
powerups	Powerups for performing common modifications on CP2K jobs and flows.
run	Functions to run CP2K.
schemas	Output schemas for CP2K calculations.
sets	Module for CP2K input sets.