atomate2.qchem.jobs.core

Core jobs for running QChem calculations.

Classes

ForceMaker	QChem Maker for a Force Job.
FreqMaker	Maker to create QChem job for frequency calculations.
OptMaker	Maker to create QChem optimization jobs.
PESScanMaker	Maker for a PES Scan job.
SinglePointMaker	Maker to create QChem single point calculation jobs.
TYPE_CHECKING	bool(x) -> bool
TransitionStateMaker	Maker to create QChem transition state structure optimization jobs.