API Reference
|
Class for analyzing correlation functions. |
|
Class for representing TBPM parameters. |
|
Base class for solvers based on exact diagonalization. |
|
Base class for fake overlap holding the analytical overlap matrix. |
|
Base class for fake primitive cell holding the analytical Hamiltonian. |
|
Class for holding hopping terms. |
|
Lindhard function calculator. |
|
Wrapper over MPI4PY APIs. |
|
Container for orbital overlap in real space. |
|
Class for holding hopping terms between different primitive cells in hetero-structure. |
|
Class for fitting on-site energies and hopping parameters to reference band data. |
|
Class for representing the primitive cell. |
|
Class for reporting the progress for a time-consuming task. |
|
Container class for hopping terms between different supercells within the sample. |
|
Class for evaluating hopping integrals using Slater-Koster formula. |
|
Class for evaluating spin-orbital coupling terms. |
|
Hard-coded spin-orbital coupling term table, generated using the 'print_soc_table' method of 'SOC' class. |
Hard-coded spin-orbital coupling term table, taking from https://journals.aps.org/prb/abstract/10.1103/PhysRevB.82.245412 |
|
|
Interface class to FORTRAN backend. |
|
Wrapper class over FORTRAN TBPM subroutines. |
|
Spin texture calculator. |
|
Class for representing a supercell from which the sample is constructed. |
|
Helper class that makes unittest easier. |
|
Class for measuring the time usage of function calls within programs. |
|
Class for quick data visualization. |
|
Class for evaluating the Z2 topological invariant. |
|
Convert Cartesian coordinates to fractional coordinates. |
|
Extend primitive cell along a, b and c directions. |
|
Find neighbours between the (0, 0, 0) cell of model_bra and nearby cells of cell_ket up to given cutoff distance. |
|
Convert fractional coordinates to Cartesian coordinates. |
|
Convert k_path generated by gen_path into distances in reciprocal space. |
|
Generate uniform mesh grid in the first Brillouin zone. |
|
Generate path in the reciprocal space connecting highly symmetric k-points. |
|
Generate lattice vectors from given lattice parameters. |
|
Generate reciprocal lattice vectors from real-space lattice vectors. |
|
Generate a list of random numbers from /dev/urandom as seeds for Python random number generator. |
|
Return current date and time. |
|
Calculate the area along given direction. |
|
Calculate the volume formed by lattice vectors. |
|
Make antimonene primitive cell. |
Make black phosphorus primitive cell. |
|
|
Make graphene primitive cell in diamond shape. |
|
Make graphene primitive cell in rectangular shape. |
|
Set up the primitive cell of graphene with Rashba and Kane-Mele SOC. |
|
Make graphene primitive cell in rectangular shape. |
|
Make one layer in the hetero-structure by reshaping primitive cell to given lattice vectors. |
Make MoS2 primitive cell with SOC. |
|
|
Make TMDC primitive cell. |
|
Merge primitive cells and inter-hopping dictionaries to build a large primitive cell. |
|
Print a banner like #----------------------------------# # FOO # #----------------------------------# to stdout. |
|
Print a banner like '#--------------- FOO ---------------#' to stdout. |
|
Read configuration from a .pkl file. |
|
Reshape primitive cell to given lattice vectors. |
|
Rotate Cartesian coordinates according to Euler angles. |
|
Rotate and shift primitive cell with respect to z-axis. |
|
Split given list into different groups. |
|
Split range(n_max) into different groups. |
|
Create primitive cell from output of Wannier90. |
|
Exponential window function. |
|
Exponential window function with base 10. |
|
Hanning window function. |