atomate2.vaspΒΆ

Module for VASP workflows.

Modules

atomate2.vasp.builders

Builders for generating VASP-related collections.

atomate2.vasp.drones

Drones for parsing VASP calculations and related outputs.

atomate2.vasp.files

Functions for manipulating VASP files.

atomate2.vasp.flows

Flows for running VASP calculations.

atomate2.vasp.jobs

Jobs for running VASP calculations.

atomate2.vasp.powerups

Powerups for performing common modifications on VASP jobs and flows.

atomate2.vasp.run

Functions to run VASP.

atomate2.vasp.schemas

Output schemas for VASP calculations.

atomate2.vasp.sets

Module defining VASP input sets used in atomate2.