Fix van hove 3d plot.

Author: shyuep

pymatgen/analysis/diffusion/aimd/tests/test_van_hove.py

@@ -43,6 +43,8 @@ def test_van_hove(self):
         self.assertAlmostEqual(vh.gdrt[10, 0], 9.68574868168, 10)
         ax = vh.get_1d_plot()
         assert isinstance(ax, mpl.axes.Axes)
+        ax = vh.get_3d_plot()
+        assert isinstance(ax, mpl.axes.Axes)
 
 
 class RDFTest(unittest.TestCase):

pymatgen/analysis/diffusion/aimd/van_hove.py

@@ -237,7 +237,7 @@ def get_3d_plot(self, figsize: tuple = (12, 8), mode: str = "distinct"):
 
         labelsize = int(figsize[0] * 3)
 
-        ax.pcolor(X, Y, grt, cmap="jet", vmin=grt.min(), vmax=vmax)
+        plt.pcolor(X, Y, grt, cmap="jet", vmin=grt.min(), vmax=vmax)
         ax.set_xlabel("Time (ps)", size=labelsize)
         ax.set_ylabel(r"$r$ ($\AA$)", size=labelsize)
         ax.axis([x.min(), x.max(), y.min(), y.max()])