Frequencies model¶

TCKDB backend app models frequencies (freq) module

class tckdb.backend.app.models.freq.Freq(**kwargs)[source]¶

A class for representing a TCKDB Freq item (frequency scaling factor)

Example:

Freq(factor=0.99 * 1.014,  # this is the frequency scaling factor for CBS-QB3
     level_id=1,
     source='J.A. Montgomery, M.J. Frisch, J. Chem. Phys. 1999, 110, 2822–2827, DOI: 10.1063/1.477924')

id¶

The primary key (not a user input).

Type: int

factor¶

The frequency scaling factor.

Type: float

level_id¶

The level of theory key for the Level table.

Note

This argument is facilitated by querying the Level table.

Type: int

source¶

The source for the determine frequency scaling factor.

Type: str

reviewer_flags¶

Backend flags to assist the review process (not a user input).

Type: Dict[str, str]