sknano.core.atoms.POAV1¶
-
class
sknano.core.atoms.
POAV1
(*args)[source][source]¶ POAV
sub-class for POAV1 analysis.Attributes
A
Magnitude of vπ. H
Altitude of tetrahedron. R1
Bond
1Vector
length
.R2
Bond
2Vector
length
.R3
Bond
3Vector
length
.T
16 the volume of the tetrahedron defined by Vector
sV1
,V2
, andV3
.V1
v1 unit Vector
V2
v2 unit Vector
V3
v3 unit Vector
Vpi
vπ unit Vector
Vv1v2v3
Volume of the parallelepiped defined by Vector
sv1
,v2
, andv3
.m
s character content of the π-orbital (smp) for sp3 normalized hybridization. misalignment_angles
List of misalignment ϕi angles. n
p character content of the σ-orbitals (spn) for sp3 normalized hybridization. pyramidalization_angles
List of pyramidalization θP angles. reciprocal_v1
Reciprocal Vector
v∗1.reciprocal_v2
Reciprocal Vector
v∗2.reciprocal_v3
Reciprocal Vector
v∗3.sigma_pi_angles
List of θσ−π angles. t
16 the volume of the tetrahedron defined by Vector
sv1
,v2
, andv3
.v1
Vector
v1 directed along the σ-orbital to the nearest-neighborAtom
inBond
1.v2
Vector
v2 directed along the σ-orbital to the nearest-neighborAtom
inBond
2.v3
Vector
v3 directed along the σ-orbital to the nearest-neighborAtom
inBond
3.vpi
General π-orbital axis vector (vπ) formed by the terminii of Vector
sVector
sv1
,v2
, andv3
.Methods
todict
([rad2deg])Return dictionary of POAV1
class attributes.