def test_get_spin_directions(self):
configuration.PlusZ(self.p_state)
nos = system.Get_NOS(self.p_state)
arr = system.Get_Spin_Directions(self.p_state)
for i in range(nos):
self.assertAlmostEqual(arr[i][0], 0.)
self.assertAlmostEqual(arr[i][1], 0.)
self.assertAlmostEqual(arr[i][2], 1.)
def Get_Atom_Types(p_state, idx_image=-1, idx_chain=-1):
nos = system.Get_NOS(p_state, idx_image, idx_chain)
ArrayType = ctypes.c_int*nos
Data = _Get_Atom_Types(ctypes.c_void_p(p_state),
ctypes.c_int(idx_image), ctypes.c_int(idx_chain))
array_pointer = ctypes.cast(Data, ctypes.POINTER(ArrayType))
array = np.frombuffer(array_pointer.contents, dtype=ctypes.c_int)
array_view = array.view()
return array_view
def Get_Spin_Positions(p_state, idx_image=-1, idx_chain=-1):
nos = system.Get_NOS(p_state, idx_image, idx_chain)
ArrayType = scalar * 3 * nos
Data = _Get_Spin_Positions(p_state, idx_image, idx_chain)
array_pointer = ctypes.cast(Data, ctypes.POINTER(ArrayType))
array = np.frombuffer(array_pointer.contents)
array_view = array.view()
array_view.shape = (nos, 3)
return array_view
def test_read(self):
nos = system.Get_NOS(self.p_state)
configuration.PlusZ(self.p_state)
io.Image_Write(self.p_state, io_image_test, 6, "python io test")
io.Image_Read(self.p_state, io_image_test)
spins = system.Get_Spin_Directions(self.p_state)
for i in range(nos):
self.assertAlmostEqual(spins[i][0], 0.)
self.assertAlmostEqual(spins[i][1], 0.)
self.assertAlmostEqual(spins[i][2], 1.)
configuration.MinusZ(self.p_state)
io.Image_Write(self.p_state, io_image_test, 6, "python io test")
io.Image_Read(self.p_state, io_image_test)
spins = system.Get_Spin_Directions(self.p_state)
for i in range(nos):
self.assertAlmostEqual(spins[i][0], 0.)
self.assertAlmostEqual(spins[i][1], 0.)
self.assertAlmostEqual(spins[i][2], -1.)
sample_temperatures,
np.linspace(10 + 0.5 * T_step, T_end, num=n_temperatures / 4))
energy_samples = []
magnetization_samples = []
susceptibility_samples = []
specific_heat_samples = []
binder_cumulant_samples = []
cfgfile = "ui-python/input.cfg" # Input File
with state.State(cfgfile, quiet=True) as p_state: # State setup
# Set parameters
parameters.mc.setOutputGeneral(p_state, False) # Disallow any output
geometry.setNCells(p_state, [system_size, system_size, system_size])
NOS = system.Get_NOS(p_state)
# Ferromagnet in z-direction
configuration.PlusZ(p_state)
# configuration.Random(p_state)
# Loop over temperatures
for iT, T in enumerate(sample_temperatures):
parameters.mc.setTemperature(p_state, T)
# Cumulative average variables
E = 0
E2 = 0
M = 0
M2 = 0
M4 = 0
def test_get_nos(self):
nos = system.Get_NOS(self.p_state)
self.assertEqual(nos, 4)