atomate2.common.jobs.mpmorph¶

Define utility functions for amorphous structure equilibration.

This file generalizes the MPMorph workflows of https://github.com/materialsproject/mpmorph originally written in atomate for VASP only to a more general code agnostic form.

For information about the current flows, contact: - Bryant Li (@BryantLi-BLI) - Aaron Kaplan (@esoteric-ephemera) - Max Gallant (@mcgalcode)

Functions

`get_average_volume_from_database`	Get average volume for a chemical environment from ICSD data.
`get_average_volume_from_db_cached`	Get the average volume per atom for a given composition from cached data.
`get_average_volume_from_mp`	Get the average volume per atom for a given composition from MP data.
`get_average_volume_from_mp_api`	Get the average volume per atom for a given composition from the Materials Project.
`get_random_packed_structure`	Generate a random packed structure with a target number of atoms.