def setUpClass(cls):
cls.d = {
'frequency': [0, 1],
'mode_kappa': [[[[[0, 2]]]]],
'temperature': [11],
'meta': {}
}
cls.fig, cls.ax = one_small_legend()
cls.fig, cls.ax = one_small_legend()
cls.ax = frequency.add_cum_kappa(cls.ax,
cls.d,
direction='x',
main=True,
scale=False,
invert=True)
def setUpClass(cls):
# warnings ignored as there are tonnes, likely due to random
# input data to pymatgen (but filtering pymatgen warnings failed).
warnings.simplefilter('ignore')
poscar = 'data/POSCAR'
cls.d = {'qpoint': [[0, 1, 2.1],
[3.2, 0.9, 2],
[0.1, 0, 0.1],
[1, 1, 1],
[4, 1, 0]],
'mode_kappa': [[[[1]], [[2]],
[[2]], [[1]],
[[1]], [[2]],
[[2]], [[1]],
[[0]], [[3]]]],
'temperature': [11],
'meta': {}}
cls.pd = {'x': [0, 1, 2, 3],
'qpoint': [[0, 1, 2],
[3, 1, 2],
[0, 0, 0],
[1, 1, 1]],
'frequency': [[0, 1, 2],
[2, 1, 0],
[3, 2, 1],
[1, 2, 3]],
'tick_position': [0, 3],
'tick_label': ['A', 'B'],
'meta': {}}
cls.fig, cls.ax = one_small_legend()
cls.ax = phonons.add_alt_dispersion(cls.ax, cls.d, cls.pd, 'mode_kappa',
colour=['red', '#00ff00'], linestyle=['-', ':'],
interpolate=1, direction='x', poscar=poscar)
def setUpClass(cls):
# warnings ignored as there are tonnes, likely due to random
# input data and real POSCAR.
warnings.simplefilter('ignore')
cls.poscar = 'data/POSCAR'
cls.d = {'qpoint': [[0, 1, 2.1],
[3.2, 0.9, 2],
[0.1, 0, 0.1],
[1, 1, 1],
[4, 1, 0]],
'gamma': [[[1], [2],
[2], [1],
[1], [2],
[2], [1],
[0], [3]]],
'temperature': [11],
'meta': {}}
cls.pd = {'x': [0, 1, 2, 3],
'qpoint': [[0, 1, 2],
[3, 1, 2],
[0, 0, 0],
[1, 1, 1]],
'frequency': [[0, 1, 2],
[2, 1, 0],
[3, 2, 1],
[1, 2, 3]],
'tick_position': [0, 3],
'tick_label': ['A', 'B'],
'meta': {}}
cls.fig, cls.ax = one_small_legend()
cls.ax = phonons.add_wideband(cls.ax, cls.d, cls.pd, interpolate=1,
poscar=cls.poscar)
def setUpClass(cls):
# warnings ignored as there are tonnes, likely due to random
# input data and real POSCAR. Could do with a P1 POSCAR.
warnings.simplefilter('ignore')
cls.poscar = 'data/POSCAR'
cls.d = {'qpoint': [[0, 1, 2.1],
[3.2, 0.9, 2],
[0.1, 0, 0.1],
[1, 1, 1],
[4, 1, 0]],
'mode_kappa': [[[[1]], [[2]],
[[2]], [[1]],
[[1]], [[2]],
[[2]], [[1]],
[[0]], [[3]]]],
'temperature': [11],
'meta': {}}
cls.pd = {'x': [0, 1, 2, 3],
'qpoint': [[0, 1, 2],
[3, 1, 2],
[0, 0, 0],
[1, 1, 1]],
'frequency': [[0, 1, 2],
[2, 1, 0],
[3, 2, 1],
[1, 2, 3]],
'tick_position': [0, 3],
'tick_label': ['A', 'B'],
'meta': {}}
cls.fig, cls.ax = one_small_legend()
cls.ax, cls.cbar = phonons.add_alt_projected_dispersion(cls.ax, cls.d,
cls.pd, 'mode_kappa', 'mode_kappa',
interpolate=1, direction='x', poscar=cls.poscar)
def setUpClass(cls):
cls.d = {'mean_free_path': [[[[[0, 1, 2, 3]]]]],
'mode_kappa': [[[[[0, 2, 11, 100]]]]],
'temperature': [11],
'meta': {}}
cls.fig, cls.ax = one_small_legend()
cls.ax = mfp.add_cum_kappa(cls.ax, cls.d, direction='x', kmin=10,
main=True, scale=False)
def setUpClass(cls):
cls.d = {'mean_free_path': [[[[[0, 2, 4]]]]],
'mode_kappa': [[[[[0, 1, 2]]]]],
'temperature': [11],
'meta': {}}
cls.fig, cls.ax = one_small_legend()
cls.ylim = (1, 2)
cls.ax.set_ylim(cls.ylim)
cls.ax = mfp.add_cum_kappa(cls.ax, cls.d, direction='x',
main=False, scale=True)
def setUpClass(cls):
cls.d = {'x': [0, 1],
'qpoint': [[0, 1, 2],
[3, 1, 2]],
'frequency': [[0, 1, 2],
[2, 1, 0]],
'tick_position': [0, 1],
'tick_label': ['A', 'B'],
'meta': {}}
cls.fig, cls.ax = one_small_legend()
cls.ax = phonons.add_dispersion(cls.ax, cls.d, label='test',
colour=['red', '#00ff00'], linestyle=['-', ':'])
def setUpClass(cls):
cls.d = {
'frequency': [0, 1],
'A': [0, 3],
'B': [4, 0],
'total': [4, 3]
}
cls.c = {'A': '#ff0000', 'B': '#00ff0080', 'total': '#000000'}
cls.fig, cls.ax = one_small_legend()
cls.ax = frequency.add_dos(cls.ax,
cls.d,
cls.c,
main=True,
scale=False)
def setUpClass(cls):
cls.d = {
'frequency': [0, 1],
'mode_kappa': [[[[[0, 2]]]]],
'temperature': [11],
'meta': {}
}
cls.fig, cls.ax = one_small_legend()
cls.ylim = cls.ax.get_ylim()
cls.ax.set_yscale('log')
cls.ylim = (10, 100)
cls.ax.set_ylim(cls.ylim)
cls.ax = frequency.add_cum_kappa(cls.ax,
cls.d,
direction='x',
main=False,
scale=True)
def setUpClass(cls):
cls.d = {
'frequency': [0, 1],
'A': [0, 3],
'B': [4, 0],
'total': [4, 3]
}
cls.c = {'A': '#ff0000', 'B': '#00ff0080', 'total': '#000000'}
cls.fig, cls.ax = one_small_legend()
cls.ylim = cls.ax.get_ylim()
cls.ax.set_yscale('log')
cls.ylim = [10, 100]
cls.ax.set_ylim(cls.ylim)
cls.ax = frequency.add_dos(cls.ax,
cls.d,
cls.c,
main=False,
scale=True)
def setUpClass(cls):
cls.d = [{'x': [0, 1],
'qpoint': [[0, 1, 2],
[3, 1, 2]],
'frequency': [[0, 1, 2],
[2, 1, 0]],
'tick_position': [0, 1],
'tick_label': ['A', 'B'],
'meta': {}},
{'x': [0, 2],
'qpoint': [[0, 1, 2],
[3, 1, 2]],
'frequency': [[0, 1, 2],
[2, 1, 0]],
'tick_position': [0, 2],
'tick_label': ['A', 'B'],
'meta': {}}]
cls.fig, cls.ax = one_small_legend()
cls.ax = phonons.add_multi(cls.ax, cls.d, label=['test1', 'test2'],
colour='viridis', linestyle=['-', ':'])
