Minor cleanup.

marcoesters · Dec 6, 2017 · c99dba0 · c99dba0
1 parent 37529f3
commit c99dba0
Showing 1 changed file with 1 addition and 4 deletions.
diff --git a/pymatgen/analysis/diffusion_analyzer.py b/pymatgen/analysis/diffusion_analyzer.py
@@ -552,7 +552,6 @@ def export_msdt(self, filename):
                     msdc) + [mscd]]))
                 f.write("\n")
 
-
     @classmethod
     def from_structures(cls, structures, specie, temperature,
                         time_step, step_skip, initial_disp=None,
@@ -587,8 +586,6 @@ def from_structures(cls, structures, specie, temperature,
         """
         p, l = [], []
         for i, s in enumerate(structures):
-            if i == 0:
-                structure = s
             p.append(np.array(s.frac_coords)[:, None])
             l.append(s.lattice.matrix)
         if initial_structure is not None:
@@ -613,7 +610,7 @@ def from_structures(cls, structures, specie, temperature,
         if initial_disp is not None:
             disp += initial_disp[:, None, :]
 
-        return cls(structure, disp, specie, temperature, time_step,
+        return cls(structures[0], disp, specie, temperature, time_step,
                    step_skip=step_skip, lattices=l, **kwargs)
 
     @classmethod