def __eq__(self, other):
"""
ASE atoms object does not compare charges. Hence, when calling
GPAW.set(external=...) two identical PointCharge object with different
charges won't trigger a reinitialization of the Hamiltionian object.
"""
try:
return Atoms.__eq__(self, other) and np.all(self.get_charges() == other.get_charges())
except:
return NotImplemented
def __eq__(self, other):
"""
ASE atoms object does not compare charges. Hence, when calling
GPAW.set(external=...) two identical PointCharge object with different
charges won't trigger a reinitialization of the Hamiltionian object.
"""
try:
return Atoms.__eq__(self, other) and \
np.all(self.get_charges() == other.get_charges())
except:
return NotImplemented
