qchemio.py File Reference

Go to the source code of this file.

Classes
class	src.qchemio.QCIn_Reader
	Finite state machine for parsing Q-Chem input files. More...

Namespaces
	src.qchemio
	forcebalance.qchemio
	Q-Chem input file parser.

Functions
def	src.qchemio.QChem_Dielectric_Energy (fnm, wq)

Variables
	src.qchemio.logger = getLogger(__name__)
list	src.qchemio.ndtypes = [None]
	Types of counterpoise correction cptypes = [None, 'BASS', 'BASSP'] Types of NDDO correction. More...
dictionary	src.qchemio.pdict
	Section -> Interaction type dictionary. More...