atomate2.lobster.schemas#

Module defining amset document schemas.

Classes

CondensedBondingAnalysis

Definition of condensed bonding analysis data from LobsterPy ICOHP.

LobsterTaskDocument

Definition of LOBSTER task document.

LobsterinModel

Definition of input settings for the LOBSTER computation.

LobsteroutModel

Definition of computational settings from the LOBSTER computation.

StrongestBonds

Strongest bonds extracted from ICOHPLIST/ICOOPLIST/ICOBILIST from LOBSTER.