bug: fixed zerothi#102

I am not sure this will solve all problems.
Basically the problem I encountered refers
to systems where sc.origo is defined, that variable
does not have a unified meaning, but really should have.

sisl/geometry.py

@@ -4095,8 +4095,8 @@ def within_inf(self, sc, periodic=None, tol=1e-5, origo=None):
             length tolerance for the fractional coordinates to be on a duplicate site (in Ang).
             This allows atoms within `tol` of the cell boundaries to be taken as *inside* the
             cell.
-        origo : (3, ) of float
-            origo that is the basis for comparison
+        origo : (3,) of float, optional
+            origo that is the basis for comparison, default to 0.
 
         Returns
         -------

sisl/physics/electron.py

@@ -1268,6 +1268,9 @@ def wavefunction(v, grid, geometry=None, k=None, spinor=0, spin=None, eta=None):
         geometry = grid.geometry
     if geometry is None:
         raise SislError("wavefunction: did not find a usable Geometry through keywords or the Grid!")
+    # Ensure coordinates are in the primary unit-cell, regardless of origo etc.
+    geometry = geometry.copy()
+    geometry.xyz = (geometry.fxyz % 1) @ geometry.sc.cell
 
     # In case the user has passed several vectors we sum them to plot the summed state
     if v.ndim == 2: