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sknano.core.atoms.ForceAtom

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

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

fx,fy,fz components of ForceAtom velocity.

Attributes

Z Atomic number Z.
element Element symbol.
f fx,fy,fz 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 ma 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)