atomate2.common.schemas

Common schemas used by multiple workflows.

Modules

atomate2.common.schemas.cclib	Core definition of a cclib-generated task document.
atomate2.common.schemas.elastic	Schemas for elastic tensor fitting and related properties.
atomate2.common.schemas.math	Schemas for matrices and vectors.
atomate2.common.schemas.molecule	Core definition of Molecule metadata.
atomate2.common.schemas.structure	Core definition of Structure metadata.
atomate2.common.schemas.symmetry	Schemas for crystal symmetry.