emmet.core.qchem.calc_types

Module defining Q-Chem calculation types.

Modules

calc_types	Task types and level of theory components for Q-Chem calculations
em_utils	Utilities to determine level of theory, task type, and calculation type for Q-Chem calculations in the pydantic Docs paradigm
enums	Autogenerated Enums for Q-Chem LevelOfTheory, TaskType, and CalcType.
utils	Utilities to determine level of theory, task type, and calculation type for Q-Chem calculations