def extract(self, name="mz"):
"""Extract somethign from the Hamiltonian"""
if self.has_eh: raise # not implemented
if name == "density":
return extract.onsite(self.intra, has_spin=self.has_spin)
elif name == "mx" and self.has_spin:
return extract.mx(self.intra)
elif name == "my" and self.has_spin:
return extract.my(self.intra)
elif name == "mz" and self.has_spin:
return extract.mz(self.intra)
else:
raise
def magnetization(h):
"""Write all the magnetizations"""
if h.has_eh: raise
if h.has_spin:
mx = extract.mx(h.intra)
my = extract.my(h.intra)
mz = extract.mz(h.intra)
else:
raise
np.savetxt("MAGNETIZATION_X.OUT",
np.matrix([h.geometry.x, h.geometry.y, mx]).T)
np.savetxt("MAGNETIZATION_Y.OUT",
np.matrix([h.geometry.x, h.geometry.y, my]).T)
np.savetxt("MAGNETIZATION_Z.OUT",
np.matrix([h.geometry.x, h.geometry.y, mz]).T)
def write_magnetization(self):
"""Extract the magnetization and write in in a file"""
if not self.has_eh: # without electron hole
if self.has_spin: # for spinful
mx = extract.mx(self.intra)
my = extract.my(self.intra)
mz = extract.mz(self.intra)
g = self.geometry
np.savetxt("MX.OUT", np.matrix([g.x, g.y, g.z, mx]).T)
np.savetxt("MY.OUT", np.matrix([g.x, g.y, g.z, my]).T)
np.savetxt("MZ.OUT", np.matrix([g.x, g.y, g.z, mz]).T)
np.savetxt("MAGNETISM.OUT",
np.matrix([g.x, g.y, g.z, mx, my, mz]).T)
return np.array([mx, my, mz])
return 0.0