enh: enabled rotating part of the supercell for a Geometry

Signed-off-by: Nick Papior <[email protected]>

Author: zerothi

sisl/geometry.py

@@ -1533,7 +1533,7 @@ def rotate(self, angle, v, origo=None, atom=None, only='abc+xyz', rad=False):
         vn /= fnorm(vn)
 
         # Rotate by direct call
-        if 'abc' in only:
+        if 'a' in only or 'b' in only or 'c' in only:
             sc = self.sc.rotate(angle, vn, rad=rad, only=only)
         else:
             sc = self.sc.copy()

sisl/supercell.py

@@ -549,8 +549,8 @@ def rotate(self, angle, v, only='abc', rad=False):
         only : ('abc'), str, optional
              only rotate the designated cell vectors.
         """
-        # flatte => copy
-        vn = np.asarray(v, dtype=np.float64).flatten()
+        # flatten => copy
+        vn = _a.asarrayd(v).flatten()
         vn /= fnorm(vn)
         q = Quaternion(angle, vn, rad=rad)
         q /= q.norm()  # normalize the quaternion