covalentradii

qcelemental.covalentradii = <qcelemental.covalent_radii.CovalentRadii object>

Covalent radii sets.

Parameters

context (str) – {‘ALVAREZ2008’} Origin of loaded data.

qcelemental.cr

Each covalent radius is an entry in cr, where key is the “Fe”-cased element symbol if generic or symbol-prefixed label if specialized within element. The value is a Datum object with lbl the same as key, units, data value as Decimal object, and any uncertainty in the comment field.

Type

Dict[str, Datum]

qcelemental.doi

The DOI of the current context.

Type

str

qcelemental.name

The name of the context (‘ALVAREZ2008’)

Type

str

qcelemental.native_units

The units the original data was provided in.

Type

str

qcelemental.year

The year the context was created.

Type

int