atomate2.common.jobs.gruneisen¶

Jobs for Grueneisen parameter computations.

Functions

`compute_gruneisen_param`	Compute Grueneisen parameters from phonon runs.
`run_phonon_jobs`	Run all phonon jobs if the symmetry stayed the same.
`shrink_expand_structure`	Create structures with expanded and reduced volumes.

Classes

bool(x) -> bool