plot_potential_cutoff: int
plot_potential_units: str
gaussian_plot_name: str
default_num_plot_wfns: int
wavefunction_plot_name: str
potential_plot_name: str
similarity_plot_name: str
spectrum_plot_name: str

@classmethod
prep_interpolation(cls, nms, coords, potential_function, symmetrizations=None): 

@classmethod
construct_from_mol_simulation(cls, sim, mol, *, potential_function=None, dipole_function=None, use_dipole_embedding=True, use_cartesians=False, use_momenta=False, quadrature_degree=3, expansion_degree=2, use_interpolation=True, use_quadrature=False, symmetrizations=None, momentum_scaling=None, skip_initial_configurations=True, alphas='virial', modes='normal', transformations='diag', pairwise_potential_functions=None, logger=True, **opts): 

@classmethod
construct_from_model_simulation(cls, sim, model, mol=None, *, use_cartesians=False, use_momenta=False, quadrature_degree=3, expansion_degree=2, use_interpolation=True, use_quadrature=False, symmetrizations=None, momentum_scaling=None, skip_initial_configurations=True, modes='normal', transformations='diag', **opts): 

@classmethod
construct_from_model(cls, model, trajectories=10, *, sim=None, propagation_time=10, timestep=50, use_cartesians=False, use_momenta=False, pairwise_potential_functions=None, use_interpolation=True, use_quadrature=False, symmetrizations=None, momentum_scaling=None, total_energy=None, total_energy_scaling=None, sampled_modes=None, initial_energies=None, initial_displacements=None, initial_mode_directions=None, displaced_coords=None, track_velocities=True, logger=None, **aimd_options): 

@classmethod
from_mol(cls, mol, sim=None, *, potential_function=None, dipole_function=None, trajectories=10, propagation_time=10, timestep=50, use_cartesians=False, use_momenta=False, pairwise_potential_functions=None, use_interpolation=True, use_quadrature=False, symmetrizations=None, momentum_scaling=None, trajectory_seed=None, total_energy=None, total_energy_scaling=None, sampled_modes=None, initial_energies=None, initial_displacements=None, initial_mode_directions=None, displaced_coords=None, track_velocities=True, logger=None, **aimd_options): 

@classmethod
run_simple(cls, system_spec, sim=None, plot_wavefunctions=True, plot_spectrum=True, trajectories=10, propagation_time=10, timestep=50, use_cartesians=False, use_momenta=False, pairwise_potential_functions=None, use_interpolation=True, use_quadrature=False, symmetrizations=None, momentum_scaling=None, trajectory_seed=None, total_energy=None, total_energy_scaling=None, sampled_modes=None, initial_energies=None, initial_mode_directions=None, initial_displacements=None, displaced_coords=None, **opts): 

@classmethod
plot_dgb_potential(cls, dgb, mol, potential, coordinate_sel=None, domain=None, domain_padding=1, potential_cutoff=None, potential_units=None, potential_min=0, plot_cartesians=None, plot_atoms=True, cmap=None, modes_nearest=False, plot_points=100, levels=24, **plot_styles): 

@classmethod
plot_gaussians(cls, dgb, mol, *, domain=None, domain_padding=1, cmap='RdBu', plot_dir=None, plot_name=None, **plot_options): 

@classmethod
plot_wavefunctions(cls, wfns, dgb, mol, which=True, coordinate_sel=None, cartesians=None, plot_dir=None, plot_name=None, plot_label='{e:.2f} cm-1', plot_potential=True, separate_potential=False, potential_plot_name=None, potential_units='Wavenumbers', plot_atoms=None, plot_centers=True, potential_styles=None, scaling=None, ticks=None, padding=None, aspect_ratio=None, plot_range=None, image_size=None, **plot_options): 

@classmethod
plot_potential_from_spec(cls, dgb, mol, spec, plot_centers=True, **opts): 

@classmethod
prep_plot_wavefunctions_spec(cls, dgb, spec): 

@classmethod
run_dgb(cls, dgb: Psience.DGB.DGB.DGB, mol, plot_centers=True, plot_wavefunctions=True, plot_spectrum=False, spectrum_plot_name=None, pot_cmap='viridis', wfn_cmap='RdBu', wfn_points=100, wfn_contours=12, plot_dir=None, plot_potential=True, pot_points=100, domain=None, domain_padding=1, wavefunction_scaling=None, potential_cutoff=None, potential_units='Wavenumbers', mode=None, nodeless_ground_state=None, min_singular_value=None, subspace_size=None, plot_similarity=False, similarity_plot_name=None, similarity_cutoff=None, similarity_chunk_size=None, similar_det_cutoff=None, num_print=None, spectrum_plotting_options=None, **plot_options): 

@classmethod
getMorseParameters(cls, w=None, wx=None, m1=None, m2=None, re=None): 

@classmethod
setupMorseFunction(cls, model, i, j, w=None, wx=None): 

@classmethod
plot_interpolation_error(cls, dgb, pot):