qp.manager

Manager for QM job submissions.

Submodules

qp.manager.charge_embedding	Generate charge embedding ptchrges.xyz file for TeraChem input.
qp.manager.create	Manager for submitting DFT single point calcultions.
qp.manager.ff14SB_dict	AMBER ff14SB force field partial charges for charge embedding.
qp.manager.job_scripts	Stored job submission scripts
qp.manager.submit	Submit QM jobs to cluster schedulers (SLURM/SGE).