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- import numpy as np
- from matplotlib import gridspec
- from charged_shells.rotational_path import PairRotationalPath, PathEnergyPlot
- from charged_shells import interactions, charge_distributions
- from charged_shells.parameters import ModelParams
- from config import *
- from plot_settings import *
- Array = np.ndarray
- zero_to_pi_half = np.linspace(0, np.pi/2, 100, endpoint=True)
- pi_half_to_pi = np.linspace(np.pi/2, np.pi, 100, endpoint=True)
- pi_to_three_halves_pi = np.linspace(np.pi, 3 * np.pi / 2, 100, endpoint=True)
- DipolePath = PairRotationalPath()
- DipolePath.set_default_x_axis(zero_to_pi_half)
- DipolePath.add_euler(beta2=pi_half_to_pi[::-1])
- DipolePath.add_euler(beta2=zero_to_pi_half[::-1])
- DipolePath.add_euler(beta2=zero_to_pi_half, beta1=zero_to_pi_half)
- DipolePath.add_euler(beta2=np.pi/2, beta1=np.pi/2, alpha2=zero_to_pi_half)
- DipolePath.add_euler(beta2=np.pi/2, alpha2=np.pi/2, beta1=pi_half_to_pi)
- DipolePath.add_euler(beta2=np.pi/2, beta1=pi_half_to_pi[::-1], alpha1=np.pi)
- DipolePath.add_euler(beta2=zero_to_pi_half[::-1], beta1=pi_half_to_pi, alpha1=np.pi)
- DipolePath.add_euler(beta2=zero_to_pi_half, beta1=pi_half_to_pi[::-1], alpha1=np.pi)
- DipolePath.add_euler(beta2=pi_half_to_pi, beta1=zero_to_pi_half[::-1], alpha1=np.pi)
- DipolePath2 = PairRotationalPath()
- DipolePath2.set_default_x_axis(zero_to_pi_half)
- DipolePath2.add_euler(beta2=pi_half_to_pi[::-1])
- DipolePath2.add_euler(beta2=zero_to_pi_half[::-1])
- DipolePath2.add_euler(beta2=zero_to_pi_half, beta1=zero_to_pi_half)
- DipolePath2.add_euler(beta2=np.pi/2, beta1=np.pi/2, alpha2=zero_to_pi_half)
- DipolePath2.add_euler(beta2=np.pi/2, alpha2=np.pi/2, beta1=pi_half_to_pi)
- DipolePath2.add_euler(beta2=zero_to_pi_half[::-1], beta1=pi_half_to_pi[::-1])
- DipolePath2.add_euler(beta2=zero_to_pi_half[::-1], beta1=np.pi)
- DipolePath2.add_euler(beta2=zero_to_pi_half, beta1=pi_half_to_pi[::-1], alpha1=np.pi)
- DipolePath2.add_euler(beta2=pi_half_to_pi, beta1=zero_to_pi_half[::-1], alpha1=np.pi)
- DipolePath3 = PairRotationalPath()
- DipolePath3.set_default_x_axis(zero_to_pi_half)
- DipolePath3.add_euler(beta2=np.pi/2, beta1=zero_to_pi_half, start_name="EP", end_name="EE")
- DipolePath3.add_euler(beta2=pi_half_to_pi, beta1=pi_half_to_pi, end_name="PP")
- DipolePath3.add_euler(beta2=pi_half_to_pi[::-1], beta1=np.pi, end_name="EP")
- DipolePath3.add_euler(beta2=pi_half_to_pi, beta1=pi_to_three_halves_pi, end_name="EP")
- DipolePath3.add_euler(beta1=3 * np.pi/2, beta2=pi_half_to_pi[::-1], alpha2=np.pi/2, end_name="tEE")
- DipolePath3.add_euler(beta1=3 * np.pi/2, beta2=np.pi/2, alpha1=zero_to_pi_half[::-1], end_name="EE")
- DipolePath3.add_euler(beta1=3 * np.pi/2, beta2=pi_half_to_pi, end_name="EP")
- def sections_plot(kappaR: float = 3, abar: float = 0.5, sigma_tilde=0.001, save_as=None):
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- path_plot.plot_sections(save_as=save_as)
- def kappaR_dependence(kappaR: Array, abar: float, sigma_tilde=0.001, save_as=None):
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=0)
- path_plot.plot(labels=[rf'$\kappa R$={kR}' for kR in kappaR],
-
- save_as=save_as)
- def abar_dependence(abar: Array, kappaR: float, sigma_tilde=0.001, save_as=None):
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- path_plot.plot(labels=[rf'$\bar a$={a}' for a in abar],
-
- save_as=save_as)
- def sigma0_dependence(sigma0: Array, kappaR: float, abar: float, sigma_tilde=0.001, save_as=None):
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30, sigma0=sigma0)
- ex2 = ex1.clone()
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- path_plot.plot(labels=[rf'$\eta={s0 / sigma_tilde}$' for s0 in sigma0],
-
- save_as=save_as)
- def model_comparison(save_as=None, save_data=False):
- kappaR = 3
- params = ModelParams(R=150, kappaR=kappaR)
- a_bar = 0.5
- sigma_tilde = 0.001
- ex1 = charge_distributions.create_mapped_dipolar_expansion(a_bar, params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- ex3 = ex1.clone().inverse_sign()
-
-
-
-
-
-
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params)
- energy = path_plot.evaluate_path()
- x_axis = path_plot.rot_path.stack_x_axes()
- path_plot_inv = PathEnergyPlot(ex1, ex3, DipolePath3, dist=2., params=params)
- energy_inv = path_plot_inv.evaluate_path()
-
-
-
-
-
-
-
-
-
-
-
- em_data = np.load(ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_A").joinpath("pathway.npz"))['arr_0']
-
-
-
-
- em_data, em_data_inv = em_data[:int(len(em_data) / 2)], em_data[int(len(em_data) / 2):]
-
-
-
-
-
-
- fig, ax = plt.subplots(figsize=0.5 * np.array([8.25, 4.125]))
- ax.plot(em_data[:, 0], em_data[:, 1], label='ICi', c='tab:blue')
- ax.plot(em_data_inv[:, 0], em_data_inv[:, 1], ls='--', c='tab:blue')
- ax.plot(x_axis, np.squeeze(energy), label='CSp', c='tab:orange')
- ax.plot(x_axis, np.squeeze(energy_inv), ls='--', c='tab:orange')
-
-
-
- path_plot.plot_style(fig, ax)
- if save_as is not None:
- plt.savefig(save_as, dpi=300)
- plt.show()
- def combined_kappaR_dependence(kappaR: list[int], abar: float, sigma_tilde=0.001, save_as=None):
- em_data_path = (ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_C")
- .joinpath("FIX_A").joinpath(f"ECC_{np.round(abar/2, 4)}"))
- ic_data = []
- ic_data_inv = []
- for kR in kappaR:
- em_data = np.load(em_data_path.joinpath(f"EMME_{kR}.").joinpath("pathway.npz"))['arr_0']
- em_data, em_data_inv = em_data[:int(len(em_data) / 2)], em_data[int(len(em_data) / 2):]
- ic_data.append(em_data)
- ic_data_inv.append(em_data_inv)
- params = ModelParams(R=150, kappaR=np.asarray(kappaR))
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- ex3 = ex1.clone().inverse_sign()
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=0)
- energy = path_plot.evaluate_path()
- x_axis = path_plot.rot_path.stack_x_axes()
- path_plot_inv = PathEnergyPlot(ex1, ex3, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=0)
- energy_inv = path_plot_inv.evaluate_path()
- labels = [rf'$\kappa R = {kR}$' for kR in [1, 3, 10]]
- fig, ax = plt.subplots()
- for d, d_inv, en, en_inv, label, c in zip(ic_data, ic_data_inv, energy.T, energy_inv.T, labels, COLORS):
- ax.plot(d[:, 0], d[:, 1], label=label, c=c)
- ax.plot(d_inv[:, 0], d_inv[:, 1], c=c)
- ax.plot(x_axis, en, ls='--', c=c)
- ax.plot(x_axis, en_inv, ls='--', c=c)
- DipolePath3.plot_style(fig, ax)
- if save_as is not None:
- plt.savefig(save_as, dpi=300)
- plt.show()
-
-
- def combined_abar_dependence(kappaR: int, abar: list[float], sigma_tilde=0.001, save_as=None):
-
- em_data_path = ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_B").joinpath("FIX_M")
- ic_data = []
- ic_data_inv = []
- for ab in abar:
- em_data = np.load(em_data_path.joinpath(f"ECC_{np.round(ab/2, 4)}").joinpath(f"EMME_{kappaR}.").joinpath("pathway.npz"))['arr_0']
- em_data, em_data_inv = em_data[:int(len(em_data) / 2)], em_data[int(len(em_data) / 2):]
- ic_data.append(em_data)
- ic_data_inv.append(em_data_inv)
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(np.asarray(abar), params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- ex3 = ex1.clone().inverse_sign()
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy = path_plot.evaluate_path()
- x_axis = path_plot.rot_path.stack_x_axes()
- path_plot_inv = PathEnergyPlot(ex1, ex3, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy_inv = path_plot_inv.evaluate_path()
- labels = [rf'$\bar a={a}$' for a in [0.3, 0.4, 0.5]]
- fig, ax = plt.subplots()
- for d, d_inv, en, en_inv, label, c in zip(ic_data, ic_data_inv, energy.T, energy_inv.T, labels, COLORS):
- ax.plot(d[:, 0], d[:, 1], label=label, c=c)
- ax.plot(d_inv[:, 0], d_inv[:, 1], c=c)
- ax.plot(x_axis, en, ls='--', c=c)
- ax.plot(x_axis, en_inv, ls='--', c=c)
- DipolePath3.plot_style(fig, ax)
- if save_as is not None:
- plt.savefig(save_as, dpi=300)
- plt.show()
- def combined_sigma0_dependence(kappaR=3., abar=0.5, sigma0=(-0.0002, 0.00, 0.0002), sigma_tilde=0.001, save_as=None):
- em_data_path = ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_D").joinpath("CHANGE_ZC")
- undercharged = np.load(em_data_path.joinpath("ZC_-56").joinpath("pathway.npz"))['arr_0']
- overcharged = np.load(em_data_path.joinpath("ZC_56").joinpath("pathway.npz"))['arr_0']
- neutral_path = ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_B").joinpath("FIX_M")
- neutral = np.load(neutral_path.joinpath(f"ECC_{np.round(abar/2, 4)}").joinpath(f"EMME_{int(kappaR)}.").joinpath("pathway.npz"))['arr_0']
- undercharged, undercharged_inv = undercharged[:int(len(undercharged) / 2)], undercharged[int(len(undercharged) / 2):]
- overcharged, overcharged_inv = overcharged[:int(len(overcharged) / 2)], overcharged[int(len(overcharged) / 2):]
- neutral, neutral_inv = neutral[:int(len(neutral) / 2)], neutral[int(len(neutral) / 2):]
- ic_data = [undercharged, neutral, overcharged]
- ic_data_inv = [undercharged_inv, neutral_inv, overcharged_inv]
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30, sigma0=np.asarray(sigma0))
- ex2 = ex1.clone()
- ex3 = ex1.clone().inverse_sign(exclude_00=True)
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy = path_plot.evaluate_path()
- x_axis = path_plot.rot_path.stack_x_axes()
- path_plot_inv = PathEnergyPlot(ex1, ex3, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy_inv = path_plot_inv.evaluate_path()
- labels = [rf'$\eta={s0/sigma_tilde}$' for s0 in sigma0]
- fig, ax = plt.subplots()
- for d, d_inv, en, en_inv, label, c in zip(ic_data, ic_data_inv, energy.T, energy_inv.T, labels, COLORS):
- ax.plot(d[:, 0], d[:, 1], label=label, c=c)
- ax.plot(d_inv[:, 0], d_inv[:, 1], c=c)
- ax.plot(x_axis, en, ls='--', c=c)
- ax.plot(x_axis, en_inv, ls='--', c=c)
- DipolePath3.plot_style(fig, ax)
- if save_as is not None:
- plt.savefig(save_as, dpi=300)
- plt.show()
- def combined_all(save_as=None):
- sigma_tilde = 0.00099
- kappaR_list = [1, 3, 10]
- abar_list = [0.5, 0.4, 0.3]
- sigma0_list = [-0.000198, 0.00, 0.000198]
- kappaR = 3
- abar = 0.5
- em_data_kappaR = (ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_C")
- .joinpath("FIX_A").joinpath(f"ECC_{np.round(abar / 2, 4)}"))
-
- ic_data_kappaR = []
- ic_data_kappaR_inv = []
- for kR in kappaR_list:
- em_data = np.load(em_data_kappaR.joinpath(f"EMME_{kR}.").joinpath("pathway.npz"))['arr_0']
- em_data, em_data_inv = em_data[:int(len(em_data) / 2)], em_data[int(len(em_data) / 2):]
- ic_data_kappaR.append(em_data)
- ic_data_kappaR_inv.append(em_data_inv)
- params = ModelParams(R=150, kappaR=np.asarray(kappaR_list))
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- ex3 = ex1.clone().inverse_sign(exclude_00=True)
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=0)
- energy_kappaR = path_plot.evaluate_path()
- path_plot_inv = PathEnergyPlot(ex1, ex3, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=0)
- energy_kappaR_inv = path_plot_inv.evaluate_path()
- x_axis_kappaR = path_plot.rot_path.stack_x_axes()
- labels_kappaR = [rf'$\kappa R={kR}$' for kR in [1, 3, 10]]
- em_data_abar = ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_B").joinpath("FIX_M")
- ic_data_abar = []
- ic_data_abar_inv = []
- for ab in abar_list:
- em_data = np.load(
- em_data_abar.joinpath(f"ECC_{np.round(ab / 2, 4)}").joinpath(f"EMME_{kappaR}.").joinpath("pathway.npz"))[
- 'arr_0']
- em_data, em_data_inv = em_data[:int(len(em_data) / 2)], em_data[int(len(em_data) / 2):]
- ic_data_abar.append(em_data)
- ic_data_abar_inv.append(em_data_inv)
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(np.asarray(abar_list), params.kappaR, sigma_tilde, l_max=30)
- ex2 = ex1.clone()
- ex3 = ex1.clone().inverse_sign(exclude_00=True)
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy_abar = path_plot.evaluate_path()
- path_plot_inv = PathEnergyPlot(ex1, ex3, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy_abar_inv = path_plot_inv.evaluate_path()
- x_axis_abar = path_plot.rot_path.stack_x_axes()
- labels_abar = [rf'$\bar a={a}$' for a in abar_list]
- em_data_charge = ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_D").joinpath("CHANGE_ZC")
- undercharged = np.load(em_data_charge.joinpath("ZC_-56").joinpath("pathway.npz"))['arr_0']
- overcharged = np.load(em_data_charge.joinpath("ZC_56").joinpath("pathway.npz"))['arr_0']
- neutral_path = ICI_DATA_PATH.joinpath("FIG_5_JANUS").joinpath("FIG_5_JANUS_B").joinpath("FIX_M")
- neutral = np.load(
- neutral_path.joinpath(f"ECC_{np.round(abar / 2, 4)}").joinpath(f"EMME_{int(kappaR)}.").joinpath("pathway.npz"))[
- 'arr_0']
- undercharged, undercharged_inv = undercharged[:int(len(undercharged) / 2)], undercharged[
- int(len(undercharged) / 2):]
- overcharged, overcharged_inv = overcharged[:int(len(overcharged) / 2)], overcharged[int(len(overcharged) / 2):]
- neutral, neutral_inv = neutral[:int(len(neutral) / 2)], neutral[int(len(neutral) / 2):]
- ic_data_sigma0 = [undercharged, neutral, overcharged]
- ic_data_sigma0_inv = [undercharged_inv, neutral_inv, overcharged_inv]
- params = ModelParams(R=150, kappaR=kappaR)
- ex1 = charge_distributions.create_mapped_dipolar_expansion(abar, params.kappaR, sigma_tilde, l_max=30, sigma0=np.asarray(sigma0_list))
- ex2 = ex1.clone()
- ex3 = ex1.clone().inverse_sign(exclude_00=True)
- path_plot = PathEnergyPlot(ex1, ex2, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy_sigma0 = path_plot.evaluate_path()
- path_plot_inv = PathEnergyPlot(ex1, ex3, DipolePath3, dist=2., params=params, match_expansion_axis_to_params=None)
- energy_sigma0_inv = path_plot_inv.evaluate_path()
- x_axis_sigma0 = path_plot.rot_path.stack_x_axes()
- labels_sigma0 = [rf'$\eta={s0/sigma_tilde:.1f}$' for s0 in sigma0_list]
-
- fig = plt.figure(figsize=(4, 3.6))
- gs = gridspec.GridSpec(2, 1, figure=fig)
-
- gs.update(left=0.12, right=0.975, top=0.94, bottom=0.06, hspace=0.3)
-
- axs = [fig.add_subplot(gs[0, 0]), fig.add_subplot(gs[1, 0])]
- for d, d_inv, en, en_inv, label, c in zip(ic_data_kappaR, ic_data_kappaR_inv, energy_kappaR.T, energy_kappaR_inv.T, labels_kappaR, COLOR_LIST):
- axs[0].set_title('Screening', fontsize=11, y=0.98)
- axs[0].plot(d[:, 0], d[:, 1], label=label, c=c)
- axs[0].plot(x_axis_kappaR, en, ls='--', c=c)
- axs[0].plot(d_inv[:, 0], d_inv[:, 1], c=c)
- axs[0].plot(x_axis_kappaR, en_inv, ls='--', c=c)
- DipolePath3.plot_style(fig, axs[0], size=None)
- axs[0].get_legend().set_bbox_to_anchor((0.65, 1.03))
-
-
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-
-
- for d, d_inv, en, en_inv, label, c in reversed(list(zip(ic_data_sigma0, ic_data_sigma0_inv, energy_sigma0.T,
- energy_sigma0_inv.T, labels_sigma0, COLOR_LIST[:3][::-1]))):
- axs[1].set_title('Net charge', fontsize=11, y=0.98)
- axs[1].plot(d[:, 0], d[:, 1], label=label, c=c)
- axs[1].plot(x_axis_sigma0, en, ls='--', c=c)
- axs[1].plot(d_inv[:, 0], d_inv[:, 1], c=c)
- axs[1].plot(x_axis_sigma0, en_inv, ls='--', c=c)
- DipolePath3.plot_style(fig, axs[1], size=None)
- axs[1].get_legend().set_bbox_to_anchor((0.65, 1.02))
- for ax in axs:
- ax.yaxis.set_label_coords(-0.08, 0.5)
-
-
- if save_as is not None:
- plt.savefig(save_as, dpi=300)
- plt.show()
- if __name__ == '__main__':
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- combined_all(
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