atomate2.common.schemas#
Common schemas used by multiple workflows.
Modules
Core definition of a cclib-generated task document. |
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General schemas for defect workflow outputs. |
|
Schemas for elastic tensor fitting and related properties. |
Common schemas used by multiple workflows.
Modules
Core definition of a cclib-generated task document. |
|
General schemas for defect workflow outputs. |
|
Schemas for elastic tensor fitting and related properties. |