oILAB
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layers Namespace Reference

Data Structures

class  BasisAtom
 
class  Layer2D
 

Functions

np.ndarray triangular_lattice_structure_matrix (float a)
 
Layer2D make_graphene_layer_from_basis (str name, list[tuple[float, float]] basis_frac_xy)
 
Layer2D make_mos2_layer_from_basis (str name, list[tuple[str, tuple[float, float], float, int, float]] basis_data)
 

Function Documentation

◆ make_graphene_layer_from_basis()

Layer2D layers.make_graphene_layer_from_basis ( str  name,
list[tuple[float, float]]  basis_frac_xy 
)
Construct a graphene layer from a specified two-atom in-plane basis.

Definition at line 78 of file layers.py.

◆ make_mos2_layer_from_basis()

Layer2D layers.make_mos2_layer_from_basis ( str  name,
list[tuple[str, tuple[float, float], float, int, float]]  basis_data 
)
Construct a MoS2 layer from a specified basis.

Each basis entry is:
    (label, frac_xy, z_rel, atom_type, charge)

Definition at line 99 of file layers.py.

◆ triangular_lattice_structure_matrix()

np.ndarray layers.triangular_lattice_structure_matrix ( float  a)
Structure matrix for the 2D triangular Bravais lattice used in the manuscript:
    A = (a/2) [[0, -sqrt(3)],
               [2, -1]]

Definition at line 65 of file layers.py.