sknano.structures.compute_unit_cell_mass¶

sknano.structures.compute_unit_cell_mass(*Ch, *, element1=None, element2=None, **kwargs)[source][source]¶

Compute nanotube unit cell mass in Daltons/atomic mass units (amu) units.

Parameters:

Parameters:	Ch : {`tuple` or `int`s} Either a 2-tuple of ints or 2 integers giving the chiral indices of the nanotube chiral vector \(\mathbf{C}_h = n\mathbf{a}_1 + m\mathbf{a}_2 = (n, m)\). element1, element2* : {str, int}, optional Element symbol or atomic number of basis `Atom` 1 and 2
Returns:	float Unit cell mass in Daltons.

*Ch : {tuple or ints}

Either a 2-tuple of ints or 2 integers giving the chiral indices of the nanotube chiral vector \(\mathbf{C}_h = n\mathbf{a}_1 + m\mathbf{a}_2 = (n, m)\).

element1, element2 : {str, int}, optional

Element symbol or atomic number of basis Atom 1 and 2

Returns:

float

Unit cell mass in Daltons.

Notes

Todo

Handle different elements and perform accurate calculation by determining number of atoms of each element.