def test_plot_periodic_heatmap(self):
random_data = {'Te': 0.11083818874391202, 'Au': 0.7575629917425387,
'Th': 1.2475885304040335, 'Ni': -2.0354391922547705}
plt = periodic_table_heatmap(random_data, cmap="plasma")
plt = periodic_table_heatmap(random_data)
plt = periodic_table_heatmap(random_data, max_row=7)
plt = periodic_table_heatmap(random_data, max_row=10)
def test_plot_periodic_heatmap(self):
random_data = {'Te': 0.11083818874391202, 'Au': 0.7575629917425387,
'Th': 1.2475885304040335, 'Ni': -2.0354391922547705}
plt = periodic_table_heatmap(random_data, cmap="plasma")
plt = periodic_table_heatmap(random_data)
plt = periodic_table_heatmap(random_data, max_row=7)
plt = periodic_table_heatmap(random_data, max_row=10)
def test_plot_periodic_heatmap(self):
random_data = {'Te': 0.11083818874391202, 'Au': 0.7575629917425387,
'Th': 1.2475885304040335, 'Ni': -2.0354391922547705}
plt = periodic_table_heatmap(random_data, cmap="plasma")
plt = periodic_table_heatmap(random_data)
plt = periodic_table_heatmap(random_data, max_row=7)
plt = periodic_table_heatmap(random_data, max_row=10)
plt = periodic_table_heatmap(random_data, cbar_label_size=18)
plt = periodic_table_heatmap(random_data, cmap_range=[0, 1])
plt = periodic_table_heatmap(random_data, cbar_label='Hello World')
plt = periodic_table_heatmap(random_data, blank_color='white')
plt = periodic_table_heatmap(random_data, value_format='%.4f')
def test_plot_periodic_heatmap(self):
random_data = {
"Te": 0.11083818874391202,
"Au": 0.7575629917425387,
"Th": 1.2475885304040335,
"Ni": -2.0354391922547705,
}
plt = periodic_table_heatmap(random_data, cmap="plasma")
plt = periodic_table_heatmap(random_data)
plt = periodic_table_heatmap(random_data, max_row=7)
plt = periodic_table_heatmap(random_data, max_row=10)
plt = periodic_table_heatmap(random_data, cbar_label_size=18)
plt = periodic_table_heatmap(random_data, cmap_range=[0, 1])
plt = periodic_table_heatmap(random_data, cbar_label="Hello World")
plt = periodic_table_heatmap(random_data, blank_color="white")
plt = periodic_table_heatmap(random_data, value_format="%.4f")
entry_configs = list()
for config in tolerances:
diff = get_diff_dict(scan_gs_dict, gga_gs_dict, config['ltol'], config['stol'], config['angle_tol'], config['allow_subset'])
entry_configs.append(diff)
energy_configs = dict()
# for diff in entry_configs:
# d = dict()
# for elem in diff.keys():
# d[elem] = diff[elem][0].energy - diff[elem][1].energy
# energy_configs.append(d)
diff = entry_configs[-1]
for elem in diff.keys():
energy_configs[elem] = diff[elem][0].energy - diff[elem][1].energy
periodic_table_heatmap(energy_configs, show_plot=True, cmap='Spectral')
# blank_color='white', cbar_label=str(config[-1]),
# diffs = list()
# diff0 = get_diff_list(scan_gs_dict, gga_gs_dict)
# diff1 = get_diff_list(scan_gs_dict, gga_gs_dict, ltol=0.4)
# diff2 = get_diff_list(scan_gs_dict, gga_gs_dict, stol=0.6)
# diff3 = get_diff_list(scan_gs_dict, gga_gs_dict, angle_tol=10)
# diff4 = get_diff_list(scan_gs_dict, gga_gs_dict, ltol=0.4, angle_tol=10)
# diff5 = get_diff_list(scan_gs_dict, gga_gs_dict, ltol=0.4, stol=0.6)
# diff6 = get_diff_list(scan_gs_dict, gga_gs_dict, stol=0.6, angle_tol=10)
# diff7 = get_diff_list(scan_gs_dict, gga_gs_dict, ltol=0.4, stol=0.6, angle_tol=10)
# diff8 = get_diff_list(scan_gs_dict, gga_gs_dict, ltol=0.4, stol=0.6, angle_tol=10, allow_subset=True)