print_vibs¶
- psi4.driver.qcdb.vib.print_vibs(vibinfo, atom_lbl=None, *, normco='x', shortlong=True, groupby=None, prec=4, ncprec=None)[source]¶
Pretty printer for vibrational analysis.
- Parameters
atom_lbl (
Optional[List[str]]) – Atomic symbols for printing. If None, integers used.normco (
str) –{‘q’, ‘w’, ‘x’} Which normal coordinate definition to print (reduced mass, etc. unaffected by this parameter). Must be
q [a0 u^1/2], the mass-weighted normalized eigenvectors of the Hessian,
w [a0], the un-mass-weighted (Cartesian) of q, or
x [a0], the normalized w.
shortlong (
bool) – Whether normal coordinates should be in (nat, 3) True or (nat * 3, 1) False format.groupby (
Optional[int]) – How many normal coordinates per row. Defaults to 3/6 for shortlong=T/F. Value of -1 uses one row.prec (
int) – Number of decimal places for frequencies, reduced masses, etc.ncprec (
Optional[int]) – Number of decimal places for normal coordinates. Defaults to 2 for shortlong=short and 4 for shortlong=long.
- Returns
String suitable for printing.
- Return type
