Allow for Level A, B, and C jobs to be specified via QCSchema's AtomicInput #29
Description
This will provide alternative ways to specify what quantum chemistry is being performed at Level A, B, and C.
- Build a QCSchema AtomicInput
- Use the program harness to generate an input file and write them using DirectoryTree
- Submit those via PBS, Slurm, etc... using Submit.py or similar infrastructure
- Grab singlepoint energy/gradient/hessian without needing success regex or energy/gradient/hess regex