atomate2.common.jobsΒΆ

DFT code agnostic jobs.

Modules

atomate2.common.jobs.defect

Jobs for defect calculations.

atomate2.common.jobs.elastic

Jobs used in the calculation of elastic tensors.

atomate2.common.jobs.electrode

Jobs for electrode analysis.

atomate2.common.jobs.eos

Define common jobs used in EOS workflows, electronic-structure code agnostic.

atomate2.common.jobs.magnetism

Jobs used for enumeration/calculation of collinear magnetic orderings.

atomate2.common.jobs.phonons

Jobs for running phonon calculations.

atomate2.common.jobs.utils

Module defining common jobs.