added explanation of how transform works

Signed-off-by: Nick Papior <[email protected]>
zerothi · Nov 13, 2024 · 6b65ab8 · 6b65ab8
1 parent ea44b2c
commit 6b65ab8
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Showing 2 changed files with 8 additions and 3 deletions.
diff --git a/src/sisl/io/siesta/tests/test_tshs.py b/src/sisl/io/siesta/tests/test_tshs.py
@@ -128,11 +128,11 @@ def test_tshs_soc_pt2_xx_dtypes(sisl_files, sisl_tmp):
     fnc = sisl_tmp("tmp.nc")
     for HS in data:
         HS.write(f)
-        HS1 = sisl.physics.Hamiltonian.read(f)
+        HS1 = HS.read(f)
         assert np.allclose(eigs, HS1.eigh(k), atol=1e-5)
 
         HS.write(fnc)
-        HS1 = sisl.physics.Hamiltonian.read(fnc)
+        HS1 = HS.read(fnc)
         assert np.allclose(eigs, HS1.eigh(k), atol=1e-5)
 
 

diff --git a/src/sisl/physics/sparse.py b/src/sisl/physics/sparse.py
@@ -874,7 +874,6 @@ def _reset(self):
                 self.M11 = 0
                 self.M22 = 1
                 self.M12 = 2
-                raise NotImplementedError("Currently not implemented")
             self.Pk = self._Pk_non_colinear
             self.Sk = self._Sk_non_colinear
             self.dPk = self._dPk_non_colinear
@@ -1617,6 +1616,12 @@ def transform(self, matrix=None, dtype=None, spin=None, orthogonal=None):
         The transformation matrix does *not* act on the rows and columns, only on the
         final dimension of the matrix.
 
+        The matrix transformation is done like this:
+
+        >>> out = in @ matrix.T
+
+        Meaning that ``matrix[0, :]`` will be the factors of the input matrix elements.
+
         Parameters
         ----------
         matrix : array_like, optional