exatomic.qchem.output module

Q-Chem Ouput Editor

Editor classes for simple Q-Chem output files

class exatomic.qchem.output.QMeta(name, bases, clsdict)[source]

Bases: TypedMeta

atom: alias of Atom

basis_set: alias of BasisSet

orbital: alias of Orbital

momatrix: alias of MOMatrix

basis_set_order: alias of BasisSetOrder

frame: alias of Frame

excitation: alias of Excitation

frequency: alias of Frequency

overlap: alias of Overlap

multipole: alias of DataFrame

class exatomic.qchem.output.Output(*args, **kwargs)[source]

Bases: Editor

parse_atom()[source]

property atom

property basis_set

property basis_set_order

property excitation

property frame

property frequency

property momatrix

property multipole

property orbital

property overlap