Merge branch 'master' of github.com:materialsproject/pymatgen

materialsproject · Jun 14, 2016 · 877e90d · 877e90d
2 parents d8e2b69 + f461700
commit 877e90d
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/pymatgen/io/gaussian.py b/pymatgen/io/gaussian.py
@@ -25,8 +25,9 @@
 from pymatgen.core import Element, Molecule, Composition
 from monty.io import zopen
 from pymatgen.util.coord_utils import get_angle
-import pymatgen.core.physical_constants as cst
+import scipy.constants as cst
 
+HARTREE_TO_ELECTRON_VOLT = 1/cst.physical_constants["electron volt-hartree relationship"][0]
 
 def read_route_line(route):
     """
@@ -940,7 +941,7 @@ def get_scan_plot(self, coords=None):
         plt.ylabel("Energy   /   eV")
 
         e_min = min(d["energies"])
-        y = [(e - e_min) * cst.HARTREE_TO_ELECTRON_VOLT for e in d["energies"]]
+        y = [(e - e_min) * HARTREE_TO_ELECTRON_VOLT for e in d["energies"]]
 
         plt.plot(x, y, "ro--")
         return plt