test breaking
@@ -225,12 +225,12 @@ class ChargeBarrierGraphTest(unittest.TestCase):
potential_field=self.aeccar_MOF,
potential_data_key="total",
)
+ self.cbg._tube_radius = 10000
def test_integration(self):
"""
Sanity check: for a long enough diagonaly hop, if we turn the radius of the tube way up, it should cover the entire unit cell
"""
- self.cbg._tube_radius = 10000
total_chg_per_vol = (
self.cbg.potential_field.data["total"].sum()
/ self.cbg.potential_field.ngridpts
@@ -255,6 +255,7 @@ class ChargeBarrierGraphTest(unittest.TestCase):
Test that all of the sites with similar lengths have similar charge densities,
this will not always be true, but it valid in this Mn6O5F7
"""
+ self.cbg._tube_radius = 10000
length_vs_chg = list(
sorted(
[
