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=['-', ':'])