vdwradii

qcelemental.vdwradii = <qcelemental.vanderwaals_radii.VanderWaalsRadii object>

Van der Waals radii sets.

Parameters

context (str) – {‘MANTINA2009’} Origin of loaded data.

qcelemental.vdwr

Each van der Waals radius is an entry in vdwr, 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 and data value as Decimal object.

Type

Dict[str, Datum]

qcelemental.doi

The DOI of the current context.

Type

str

qcelemental.name

The name of the context (‘MANTINA2009’)

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