sknano.core.atoms.VanDerWaalsAtom

class sknano.core.atoms.VanDerWaalsAtom(*args, *, r_vdw=0.0, **kwargs)

An Atom class with a van der Waals radius attribute.

Parameters:

element : {str, int}, optional

A string representation of the element symbol or an integer specifying an element atomic number.

r_vdw : float, optional

Attributes

Z	Atomic number $Z$.
element	Element symbol.
fmtstr	Format string.
m
mass	Atomic mass $m_a$ in atomic mass units.
r_vdw	van der Waals radius $r_{\mathrm{vdW}$ in units of $\AA$.
symbol	Element symbol.

Methods

rezero(*args, **kwargs)
rotate(**kwargs)
todict()
translate(*args, **kwargs)