emmet.builders.utils

Functions

chemsys_permutations

get_hop_cutoff

A function to get an appropriate hop distance cutoff for a given migration graph structure which can be used for MigrationGraph.with_distance()

get_potcar_stats

Get the POTCAR stats used in MP calculations to validate POTCARs.

maximal_spanning_non_intersecting_subsets

Finds the maximal spanning non intersecting subsets of a group of sets This is usefull for parsing out the sandboxes and figuring out how to group and calculate these for thermo documents

query_open_data

Query a Materials Project AWS S3 Open Data bucket directly with boto3

Classes

HiddenPrints

TYPE_CHECKING

bool(x) -> bool