Loading [MathJax]/jax/output/HTML-CSS/jax.js

sknano.core.atoms.POAVR

class sknano.core.atoms.POAVR(*args)[source][source]

POAV sub-class for POAVR analysis.

Attributes

A Magnitude of vπ.
H Altitude of tetrahedron.
R1 Bond 1 Vector length.
R2 Bond 2 Vector length.
R3 Bond 3 Vector length.
T 16 the volume of the tetrahedron defined by Vectors V1, V2, and V3.
V1 v1 unit Vector
V2 v2 unit Vector
V3 v3 unit Vector
Vpi vπ unit Vector
Vv1v2v3 Volume of the parallelepiped defined by Vectors v1, v2, and v3.
misalignment_angles List of misalignment ϕi angles.
pyramidalization_angles List of pyramidalization θP angles.
reciprocal_v1 Reciprocal Vector v1.
reciprocal_v2 Reciprocal Vector v2.
reciprocal_v3 Reciprocal Vector v3.
sigma_pi_angles List of θσπ angles.
t 16 the volume of the tetrahedron defined by Vectors v1, v2, and v3.
v1 Vector v1 directed along the σ-orbital to the nearest-neighbor Atom in Bond 1.
v2 Vector v2 directed along the σ-orbital to the nearest-neighbor Atom in Bond 2.
v3 Vector v3 directed along the σ-orbital to the nearest-neighbor Atom in Bond 3.
vpi General π-orbital axis vector (vπ) formed by the terminii of Vectors Vectors v1, v2, and v3.

Methods

todict([rad2deg]) Return dictionary of POAV class attributes.