atomate2.vasp.flowsΒΆ

Flows for running VASP calculations.

Modules

atomate2.vasp.flows.core

Core VASP flows.

atomate2.vasp.flows.defect

Flows used in the calculation of defect properties.

atomate2.vasp.flows.elastic

Flows for calculating elastic constants.

atomate2.vasp.flows.electrode

Flow for electrode analysis with specific VASP implementations.

atomate2.vasp.flows.elph

Flows for electron phonon calculations.

atomate2.vasp.flows.eos

Module defining equation of state workflows.

atomate2.vasp.flows.lobster

Flows for Lobster computations.

atomate2.vasp.flows.matpes

Module defining MatPES flows.

atomate2.vasp.flows.md

Flows for running molecular dynamics simulations.

atomate2.vasp.flows.mp

Module defining Materials Project workflows.

atomate2.vasp.flows.phonons

Define the VASP PhononMaker.