sknano.core.atoms.ForceAtom

class sknano.core.atoms.ForceAtom(*args, *, fx=None, fy=None, fz=None, **kwargs)

An Atom class with force attributes.

Parameters:

element : {str, int}, optional

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

fx, fy, fz : float, optional

\(f_x, f_y, f_z\) components of ForceAtom velocity.

Attributes

Z	Atomic number \(Z\).
element	Element symbol.
f	\(f_x, f_y, f_z\) array of force vector components.
fmtstr	Format string.
fx	\(x\) component of ForceAtom force vector
fy	\(x\) component of ForceAtom force vector
fz	\(z\) component of ForceAtom force vector
m
mass	Atomic mass \(m_a\) in atomic mass units.
symbol	Element symbol.

Methods

rezero([epsilon])	Re-zero position vector components.
rotate(**kwargs)	Rotate Atom position vector.
todict()
translate(*args, **kwargs)