Documentation

Construct the documentation for the release of the package.

pymf/tb/transforms.py

 import itertools
 import numpy as np
+from scipy.fftpack import ifftn
 
 from pymf.tb.tb import _tb_type
 
@@ -37,6 +38,25 @@ def tb_to_kgrid(tb: _tb_type, nk: int) -> np.ndarray:
     return np.sum(tb_array * k_dependency, axis=0)
 
 
+def kgrid_to_tb(kgrid_array: np.ndarray) -> _tb_type:
+    """
+    Convert a k-space grid array to a tight-binding dictionary.
+
+    Parameters
+    ----------
+    kgrid_array :
+        K-space grid array to convert to a tight-binding dictionary.
+        The array should be of shape (nk, nk, ..., ndof, ndof),
+        where ndof is number of internal degrees of freedom.
+    Returns
+    -------
+    :
+        Tight-binding dictionary.
+    """
+    ndim = len(kgrid_array.shape) - 2
+    return ifftn_to_tb(ifftn(kgrid_array, axes=np.arange(ndim)))
+
+
 def ifftn_to_tb(ifft_array: np.ndarray) -> _tb_type:
     """
     Convert the result of `scipy.fft.ifftn` to a tight-binding dictionary.