Index

A

a (pySED.probe_weights.CromerMannCoefficients attribute) advise_cartesian_qpoints() (pySED.q_advisor.QAdvisor method) advise_experimental_path() (pySED.q_advisor.QAdvisor method) advise_map_q_axis() (pySED.q_advisor.QAdvisor method) advise_qpoints() (pySED.q_advisor.QAdvisor method) advisor (pySED.scattering_workflow.CurrentCorrelationWorkflowResult attribute) (pySED.scattering_workflow.DSFWorkflowResult attribute) (pySED.scattering_workflow.EELSWorkflowResult attribute) (pySED.scattering_workflow.OnePhononWorkflowResult attribute) (pySED.scattering_workflow.PartialDSFWorkflowResult attribute) align_intensity_map() (in module pySED.compare_experiment) align_to_experiment() (in module pySED.compare_experiment) all_commensurate (pySED.q_advisor.QAdvisorReport property) amplitude (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononVisibility attribute) angular_resolution_to_q_sigma() (in module pySED.electron_kinematics) apply_quantum_correction() (in module pySED.quantum_correction) apply_quantum_correction_to_map() (in module pySED.compare_experiment) as_blocks() (in module pySED.scattering_kernel)

asnumpy (pySED.scattering_kernel.KernelBackend attribute) atom_amplitude (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononVisibility attribute) atom_intensity (pySED.eels.EELSDecompositionMap attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) atom_interference (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononVisibility attribute) atom_interference_intensity (pySED.eels.EELSDecompositionMap attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) atom_labels (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) atom_sum (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) atom_visibility (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononVisibility attribute) atomic_number_weights() (in module pySED.probe_weights) axes (pySED.q_advisor.QPointMesh attribute)

B

b (pySED.probe_weights.CromerMannCoefficients attribute) basis_interference (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) basis_interference_fraction (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) BOLTZMANN_MEV_PER_K (in module pySED.quantum_correction) bose_population() (in module pySED.quantum_correction) broaden_energy() (in module pySED.compare_experiment) build_commensurate_path() (pySED.q_advisor.QAdvisor method)

build_dsf_validation_report() (in module pySED.validation) build_eels_decomposition_map_from_mode_spectra() (in module pySED.eels) build_eels_map() (in module pySED.eels) build_eels_map_from_mode_spectra() (in module pySED.eels) build_one_phonon_decomposition_map_from_mode_spectra() (in module pySED.mode_visibility) build_one_phonon_map() (in module pySED.mode_visibility) build_one_phonon_map_from_mode_spectra() (in module pySED.mode_visibility)

C

c (pySED.probe_weights.CromerMannCoefficients attribute) candidate_shape (pySED.validation.SpectrumComparison attribute) cartesian_to_reduced() (pySED.q_advisor.QAdvisor method) circular_autocorrelation() (in module pySED.scattering_kernel) classical_to_quantum_factor() (in module pySED.quantum_correction) coerce_cromer_mann_coefficients() (in module pySED.probe_weights) coherent (pySED.dsf.DSFResult attribute) coherent_sem (pySED.dsf.DSFResult attribute) coherent_weights (pySED.validation.DSFValidationCase attribute) commensurate_grid() (pySED.q_advisor.QAdvisor method) compare_arrays() (in module pySED.validation) compare_external_dsf_reference() (in module pySED.validation) compare_maps() (in module pySED.compare_experiment) compare_reference_spectrum() (in module pySED.validation) comparison (pySED.scattering_workflow.CurrentCorrelationWorkflowResult attribute) (pySED.scattering_workflow.DSFWorkflowResult attribute) (pySED.scattering_workflow.EELSWorkflowResult attribute) (pySED.scattering_workflow.OnePhononWorkflowResult attribute) (pySED.scattering_workflow.PartialDSFWorkflowResult attribute) comparison_linecut_records() (in module pySED.compare_experiment) comparison_peak_records() (in module pySED.compare_experiment) comparison_residual_map() (in module pySED.compare_experiment) comparison_summary() (in module pySED.compare_experiment) compute_coherent_dsf_via_correlation() (in module pySED.dsf) compute_current_correlation_workflow() (in module pySED.scattering_workflow) compute_current_correlations() (in module pySED.dsf) compute_dsf() (in module pySED.dsf) compute_dsf_workflow() (in module pySED.scattering_workflow)

compute_eels_workflow() (in module pySED.scattering_workflow) compute_eels_workflow_from_angle_axis() (in module pySED.scattering_workflow) compute_eels_workflow_from_q_path() (in module pySED.scattering_workflow) compute_eigen_sed() (in module pySED.eigen_sed) compute_mode_visibility() (in module pySED.eels) compute_mode_visibility_decomposition() (in module pySED.eels) compute_mode_visibility_for_q_path() (in module pySED.eels) compute_one_phonon_visibility() (in module pySED.mode_visibility) compute_one_phonon_visibility_for_q_path() (in module pySED.mode_visibility) compute_one_phonon_workflow() (in module pySED.scattering_workflow) compute_one_phonon_workflow_from_q_path() (in module pySED.scattering_workflow) compute_partial_dsf() (in module pySED.dsf) compute_partial_dsf_workflow() (in module pySED.scattering_workflow) compute_pysed_validation_pair() (in module pySED.validation) compute_repetition_matrix() (in module pySED.q_advisor) convert_energy_axis() (in module pySED.quantum_correction) convolve_q_resolution() (in module pySED.compare_experiment) convolve_resolution_units() (in module pySED.compare_experiment) coordinate_system (pySED.q_advisor.QAdvisorReport attribute) correlation (pySED.compare_experiment.MapComparison attribute) (pySED.validation.SpectrumComparison attribute) cromer_mann_form_factor() (in module pySED.probe_weights) CromerMannCoefficients (class in pySED.probe_weights) crop_image() (in module pySED.compare_experiment) current (pySED.scattering_workflow.CurrentCorrelationWorkflowResult attribute) current_correlation_to_scattering_map() (in module pySED.scattering_workflow) CurrentCorrelationResult (class in pySED.dsf) CurrentCorrelationWorkflowResult (class in pySED.scattering_workflow)

D

density_amplitude() (in module pySED.scattering_kernel) density_amplitude_from_phase() (in module pySED.scattering_kernel) description (pySED.validation.DSFValidationCase attribute) diagnose_mode_visibility() (in module pySED.visibility_diagnostics) direction_amplitude (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononVisibility attribute) direction_intensity (pySED.eels.EELSDecompositionMap attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) direction_interference (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) direction_interference_fraction (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) direction_labels (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) direction_sum (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute)

direction_visibility (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononVisibility attribute) dominant_atom_index (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) dominant_direction_index (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) dominant_reason (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) dsf (pySED.scattering_workflow.DSFWorkflowResult attribute) dsf_to_scattering_map() (in module pySED.scattering_workflow) DSFResult (class in pySED.dsf) DSFValidationCase (class in pySED.validation) DSFWorkflowResult (class in pySED.scattering_workflow) dt (pySED.validation.DSFValidationCase attribute)

E

eels_map (pySED.scattering_workflow.EELSWorkflowResult attribute) eels_map_to_scattering_map() (in module pySED.scattering_workflow) eels_qpoints_from_angle_axis() (in module pySED.electron_kinematics) EELSDecompositionMap (class in pySED.eels) EELSMap (class in pySED.eels) EELSVisibility (class in pySED.eels) EELSVisibilityDecomposition (class in pySED.eels) EELSWorkflowResult (class in pySED.scattering_workflow) eigen_sed (pySED.scattering_workflow.EELSWorkflowResult attribute) (pySED.scattering_workflow.OnePhononWorkflowResult attribute) EigenSEDResult (class in pySED.eigen_sed) eigenvectors (pySED.eigen_sed.EigenvectorSet attribute) EigenvectorSet (class in pySED.eigen_sed) elastic_coherent (pySED.dsf.DSFResult attribute) elastic_coherent_sem (pySED.dsf.DSFResult attribute) elastic_incoherent (pySED.dsf.DSFResult attribute) elastic_incoherent_sem (pySED.dsf.DSFResult attribute) electron_beta() (in module pySED.electron_kinematics) electron_form_factor_weights() (in module pySED.probe_weights)

electron_momentum_pc_ev() (in module pySED.electron_kinematics) electron_wavelength_angstrom() (in module pySED.electron_kinematics) electron_wavenumber_per_angstrom() (in module pySED.electron_kinematics) energy_axis (pySED.compare_experiment.ScatteringMap attribute) (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSMap attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononMap attribute) energy_axis_from_mev() (in module pySED.quantum_correction) energy_axis_to_mev() (in module pySED.quantum_correction) error_cartesian (pySED.q_advisor.QAdvisorReport attribute) (pySED.q_advisor.QPointAdvice attribute) error_reduced (pySED.q_advisor.QAdvisorReport attribute) (pySED.q_advisor.QPointAdvice attribute) estimate_selected_q_efficiency() (in module pySED.q_advisor) (pySED.q_advisor.QAdvisor method) experimental (pySED.compare_experiment.MapComparison attribute) experimental_map (pySED.compare_experiment.MapComparison attribute) export_dsf_validation_case() (in module pySED.validation) ExtendedZoneQPathPlan (class in pySED.q_advisor)

F

fft (pySED.scattering_kernel.KernelBackend attribute) fft_power() (in module pySED.scattering_kernel) fftfreq (pySED.scattering_kernel.KernelBackend attribute) fold_to_first_bz() (in module pySED.eels) freq_slice (pySED.scattering_kernel.FrequencyGrid attribute) frequencies (pySED.eigen_sed.EigenvectorSet attribute) frequencies_thz (pySED.dsf.CurrentCorrelationResult attribute) (pySED.dsf.DSFResult attribute) (pySED.dsf.PartialDSFResult attribute) (pySED.eigen_sed.EigenSEDResult attribute) (pySED.scattering_kernel.FrequencyGrid attribute)

frequency_grid() (in module pySED.scattering_kernel) FrequencyGrid (class in pySED.scattering_kernel) full_fft_work_units (pySED.q_advisor.SelectedQEfficiencyReport attribute) full_phase_evaluations (pySED.q_advisor.SelectedQEfficiencyReport attribute)

G

g_vectors_cartesian (pySED.q_advisor.ExtendedZoneQPathPlan attribute) g_vectors_reduced (pySED.eels.EELSVisibility attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononVisibility attribute) (pySED.q_advisor.ExtendedZoneQPathPlan attribute)

gaussian() (in module pySED.eels) (in module pySED.mode_visibility)

I

image_to_grayscale() (in module pySED.compare_experiment) incoherent (pySED.dsf.DSFResult attribute) incoherent_sem (pySED.dsf.DSFResult attribute) integer_supercell_index (pySED.q_advisor.QPointAdvice attribute) integer_supercell_indices (pySED.q_advisor.QAdvisorReport attribute) intensity (pySED.compare_experiment.ScatteringMap attribute) (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSMap attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononMap attribute)

interpolate_energy_axis() (in module pySED.compare_experiment) is_commensurate (pySED.q_advisor.QAdvisorReport attribute) (pySED.q_advisor.QPointAdvice attribute) is_commensurate() (pySED.q_advisor.QAdvisor method)

K

KernelBackend (class in pySED.scattering_kernel)

L

linecut() (in module pySED.compare_experiment) load_dsf_validation_case() (in module pySED.validation) load_intensity_map() (in module pySED.compare_experiment) load_scattering_map_image() (in module pySED.compare_experiment)

longitudinal (pySED.dsf.CurrentCorrelationResult attribute) longitudinal_momentum_transfer() (in module pySED.electron_kinematics) longitudinal_sem (pySED.dsf.CurrentCorrelationResult attribute) lorentzian() (in module pySED.eels) (in module pySED.mode_visibility)

M

mae (pySED.compare_experiment.MapComparison attribute) (pySED.validation.SpectrumComparison attribute) map_value_records() (in module pySED.compare_experiment) MapComparison (class in pySED.compare_experiment) max_abs (pySED.validation.SpectrumComparison attribute) max_error_cartesian (pySED.q_advisor.QAdvisorReport property) max_error_reduced (pySED.q_advisor.QAdvisorReport property) mesh_shape (pySED.q_advisor.QPointMesh attribute) metadata (pySED.compare_experiment.ScatteringMap attribute) (pySED.dsf.CurrentCorrelationResult attribute) (pySED.dsf.DSFResult attribute) (pySED.dsf.PartialDSFResult attribute) (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSVisibility attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.eigen_sed.EigenSEDResult attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononMap attribute) (pySED.mode_visibility.OnePhononVisibility attribute) (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute)

mode_frequencies (pySED.eigen_sed.EigenSEDResult attribute) mode_labels (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) ModeVisibilityDiagnostics (class in pySED.visibility_diagnostics) module pySED.compare_experiment pySED.dsf pySED.eels pySED.eigen_sed pySED.electron_kinematics pySED.mode_visibility pySED.probe_weights pySED.q_advisor pySED.quantum_correction pySED.scattering_export pySED.scattering_kernel pySED.scattering_plot pySED.scattering_workflow pySED.validation pySED.visibility_diagnostics mott_bethe_electron_form_factor() (in module pySED.probe_weights)

N

name (pySED.scattering_kernel.KernelBackend attribute) nearest_cartesian (pySED.q_advisor.QAdvisorReport attribute) (pySED.q_advisor.QPointAdvice attribute) nearest_commensurate() (pySED.q_advisor.QAdvisor method) nearest_commensurate_cartesian() (pySED.q_advisor.QAdvisor method) nearest_reduced (pySED.q_advisor.QAdvisorReport attribute) (pySED.q_advisor.QPointAdvice attribute) neutron_weights() (in module pySED.dsf) normalization (pySED.validation.SpectrumComparison attribute) normalize_intensity() (in module pySED.compare_experiment) normalized_rmse (pySED.validation.SpectrumComparison attribute)

num_atoms (pySED.q_advisor.SelectedQEfficiencyReport attribute) num_blocks (pySED.dsf.CurrentCorrelationResult attribute) (pySED.dsf.DSFResult attribute) (pySED.dsf.PartialDSFResult attribute) (pySED.validation.DSFValidationCase attribute) num_commensurate (pySED.q_advisor.QAdvisorReport property) num_frames (pySED.q_advisor.SelectedQEfficiencyReport attribute) num_full_qpoints (pySED.q_advisor.SelectedQEfficiencyReport attribute) num_points (pySED.q_advisor.ExtendedZoneQPathPlan property) (pySED.q_advisor.QAdvisorReport property) num_selected_qpoints (pySED.q_advisor.SelectedQEfficiencyReport attribute)

O

one_phonon_map (pySED.scattering_workflow.OnePhononWorkflowResult attribute) one_phonon_map_to_scattering_map() (in module pySED.scattering_workflow) OnePhononDecompositionMap (class in pySED.mode_visibility)

OnePhononMap (class in pySED.mode_visibility) OnePhononVisibility (class in pySED.mode_visibility) OnePhononWorkflowResult (class in pySED.scattering_workflow) optional_scattering_package_report() (in module pySED.validation)

P

package_status() (in module pySED.validation) partial (pySED.dsf.PartialDSFResult attribute) partial_dsf (pySED.scattering_workflow.PartialDSFWorkflowResult attribute) partial_dsf_to_scattering_map() (in module pySED.scattering_workflow) partial_sem (pySED.dsf.PartialDSFResult attribute) PartialDSFResult (class in pySED.dsf) PartialDSFWorkflowResult (class in pySED.scattering_workflow) passed (pySED.validation.SpectrumComparison attribute) path_axis (pySED.q_advisor.QPathSegments attribute) peak_frequency_mae (pySED.validation.SpectrumComparison attribute) phase_factors() (in module pySED.scattering_kernel) plan_extended_zone_q_path() (pySED.q_advisor.QAdvisor method) plan_map_q_axis() (pySED.q_advisor.QAdvisor method) PLANCK_MEV_THZ (in module pySED.quantum_correction) plot_linecuts() (in module pySED.scattering_plot) plot_map_comparison() (in module pySED.scattering_plot) plot_scattering_map() (in module pySED.scattering_plot) positions (pySED.validation.DSFValidationCase attribute) positive_frequency_slice() (in module pySED.scattering_kernel) prepare_map_comparison() (in module pySED.compare_experiment) preserve_image (pySED.q_advisor.QAdvisorReport attribute) pySED.compare_experiment module pySED.dsf module

pySED.eels module pySED.eigen_sed module pySED.electron_kinematics module pySED.mode_visibility module pySED.probe_weights module pySED.q_advisor module pySED.quantum_correction module pySED.scattering_export module pySED.scattering_kernel module pySED.scattering_plot module pySED.scattering_workflow module pySED.validation module pySED.visibility_diagnostics module

Q

q_advice (pySED.scattering_workflow.CurrentCorrelationWorkflowResult attribute) (pySED.scattering_workflow.DSFWorkflowResult attribute) (pySED.scattering_workflow.EELSWorkflowResult attribute) (pySED.scattering_workflow.OnePhononWorkflowResult attribute) (pySED.scattering_workflow.PartialDSFWorkflowResult attribute) q_axis (pySED.compare_experiment.ScatteringMap attribute) Q_cartesian (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSMap attribute) (pySED.eels.EELSVisibility attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononMap attribute) (pySED.mode_visibility.OnePhononVisibility attribute) (pySED.q_advisor.ExtendedZoneQPathPlan attribute) q_error_cartesian (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) q_error_reduced (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) q_path_axis() (in module pySED.scattering_workflow) q_plan (pySED.scattering_workflow.EELSWorkflowResult attribute) (pySED.scattering_workflow.OnePhononWorkflowResult attribute) Q_reduced (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSMap attribute) (pySED.eels.EELSVisibility attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononMap attribute) (pySED.mode_visibility.OnePhononVisibility attribute) (pySED.q_advisor.ExtendedZoneQPathPlan attribute)

QAdvisor (class in pySED.q_advisor) QAdvisorReport (class in pySED.q_advisor) QPathSegments (class in pySED.q_advisor) qpoint_reduction_factor (pySED.q_advisor.SelectedQEfficiencyReport attribute) QPointAdvice (class in pySED.q_advisor) QPointMesh (class in pySED.q_advisor) qpoints_cartesian (pySED.dsf.CurrentCorrelationResult attribute) (pySED.dsf.DSFResult attribute) (pySED.dsf.PartialDSFResult attribute) (pySED.q_advisor.ExtendedZoneQPathPlan attribute) (pySED.scattering_workflow.CurrentCorrelationWorkflowResult attribute) (pySED.scattering_workflow.DSFWorkflowResult attribute) (pySED.scattering_workflow.PartialDSFWorkflowResult attribute) (pySED.validation.DSFValidationCase attribute) qpoints_from_mesh() (in module pySED.q_advisor) qpoints_from_path_axis() (in module pySED.q_advisor) qpoints_from_path_segments() (in module pySED.q_advisor) qpoints_reduced (pySED.eels.EELSVisibility attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.eigen_sed.EigenSEDResult attribute) (pySED.eigen_sed.EigenvectorSet attribute) (pySED.mode_visibility.OnePhononVisibility attribute) (pySED.q_advisor.ExtendedZoneQPathPlan attribute) (pySED.q_advisor.QPathSegments attribute) (pySED.q_advisor.QPointMesh attribute) (pySED.scattering_workflow.CurrentCorrelationWorkflowResult attribute) (pySED.scattering_workflow.DSFWorkflowResult attribute) (pySED.scattering_workflow.PartialDSFWorkflowResult attribute)

R

read_phonopy_band_yaml() (in module pySED.eigen_sed) reason (pySED.validation.SpectrumComparison attribute) reason_counts() (pySED.visibility_diagnostics.ModeVisibilityDiagnostics method) reciprocal_lattice() (in module pySED.q_advisor) reduced_delta() (in module pySED.q_advisor) reduced_to_cartesian() (pySED.q_advisor.QAdvisor method) reference_shape (pySED.validation.SpectrumComparison attribute) relative_visibility (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute) report (pySED.q_advisor.ExtendedZoneQPathPlan attribute) requested_cartesian (pySED.q_advisor.QAdvisorReport attribute) (pySED.q_advisor.QPointAdvice attribute)

requested_reduced (pySED.q_advisor.QAdvisorReport attribute) (pySED.q_advisor.QPointAdvice attribute) reshape_values() (pySED.q_advisor.QPointMesh method) residual (pySED.compare_experiment.MapComparison attribute) resolve_backend() (in module pySED.scattering_kernel) resolve_scattering_weights() (in module pySED.dsf) rmse (pySED.compare_experiment.MapComparison attribute) (pySED.validation.SpectrumComparison attribute) run_internal_dsf_reference_validation() (in module pySED.validation)

S

scale_factor (pySED.validation.SpectrumComparison attribute) scattering_angles_to_qpoints() (in module pySED.electron_kinematics) scattering_map (pySED.scattering_workflow.CurrentCorrelationWorkflowResult attribute) (pySED.scattering_workflow.DSFWorkflowResult attribute) (pySED.scattering_workflow.EELSWorkflowResult attribute) (pySED.scattering_workflow.OnePhononWorkflowResult attribute) (pySED.scattering_workflow.PartialDSFWorkflowResult attribute) scattering_map_from_image() (in module pySED.compare_experiment) scattering_weights (pySED.mode_visibility.OnePhononVisibility attribute) ScatteringMap (class in pySED.compare_experiment) sed (pySED.eigen_sed.EigenSEDResult attribute) segment_end_indices (pySED.q_advisor.QPathSegments attribute) segment_start_indices (pySED.q_advisor.QPathSegments attribute) selected_fft_work_units (pySED.q_advisor.SelectedQEfficiencyReport attribute) selected_fraction (pySED.q_advisor.SelectedQEfficiencyReport attribute)

selected_phase_evaluations (pySED.q_advisor.SelectedQEfficiencyReport attribute) SelectedQEfficiencyReport (class in pySED.q_advisor) simulated (pySED.compare_experiment.MapComparison attribute) simulated_map (pySED.compare_experiment.MapComparison attribute) source (pySED.eigen_sed.EigenvectorSet attribute) (pySED.probe_weights.CromerMannCoefficients attribute) species (pySED.dsf.PartialDSFResult attribute) SpectrumComparison (class in pySED.validation) split_extended_zone_qpoints() (in module pySED.q_advisor) standard_error() (in module pySED.scattering_kernel) suggest_diagonal_supercell() (in module pySED.q_advisor) suggested_diagonal_supercell (pySED.q_advisor.QAdvisorReport attribute) summary() (pySED.q_advisor.QAdvisorReport method) (pySED.q_advisor.SelectedQEfficiencyReport method) supercell_indices() (pySED.q_advisor.QAdvisor method) synthetic_dsf_validation_case() (in module pySED.validation)

T

to_dict() (pySED.q_advisor.ExtendedZoneQPathPlan method) (pySED.q_advisor.QAdvisorReport method) (pySED.validation.SpectrumComparison method) to_numpy() (in module pySED.scattering_kernel) to_records() (pySED.q_advisor.ExtendedZoneQPathPlan method) (pySED.q_advisor.QAdvisorReport method) (pySED.visibility_diagnostics.ModeVisibilityDiagnostics method)

to_table() (pySED.q_advisor.QAdvisorReport method) (pySED.q_advisor.SelectedQEfficiencyReport method) total (pySED.dsf.DSFResult attribute) total_sem (pySED.dsf.DSFResult attribute) track_peak_positions() (in module pySED.compare_experiment) transverse (pySED.dsf.CurrentCorrelationResult attribute) transverse_sem (pySED.dsf.CurrentCorrelationResult attribute)

V

validate_eigenvector_qpoints() (in module pySED.eigen_sed) validate_qpoints() (pySED.q_advisor.QAdvisor method) validation_environment() (in module pySED.validation) visibility (pySED.eels.EELSDecompositionMap attribute) (pySED.eels.EELSMap attribute) (pySED.eels.EELSVisibility attribute) (pySED.eels.EELSVisibilityDecomposition attribute) (pySED.mode_visibility.OnePhononDecompositionMap attribute) (pySED.mode_visibility.OnePhononMap attribute) (pySED.mode_visibility.OnePhononVisibility attribute) (pySED.scattering_workflow.EELSWorkflowResult attribute) (pySED.scattering_workflow.OnePhononWorkflowResult attribute) (pySED.visibility_diagnostics.ModeVisibilityDiagnostics attribute)

W

WAVENUMBER_MEV (in module pySED.quantum_correction) weak_records() (pySED.visibility_diagnostics.ModeVisibilityDiagnostics method) weighted_total (pySED.dsf.PartialDSFResult attribute) weighted_total_sem (pySED.dsf.PartialDSFResult attribute) workflow_export_summary() (in module pySED.scattering_export) wrap_reduced() (in module pySED.q_advisor) write_csv() (pySED.q_advisor.ExtendedZoneQPathPlan method) (pySED.q_advisor.QAdvisorReport method) (pySED.visibility_diagnostics.ModeVisibilityDiagnostics method)

write_map_comparison_report() (in module pySED.compare_experiment) write_phonopy_qpoints() (pySED.q_advisor.ExtendedZoneQPathPlan method) (pySED.q_advisor.QAdvisor method) write_scattering_workflow_bundle() (in module pySED.scattering_export) write_validation_report() (in module pySED.validation)

X

xp (pySED.scattering_kernel.KernelBackend attribute) xray_atomic_number_weights() (in module pySED.dsf)

xray_form_factor_weights() (in module pySED.dsf) (in module pySED.probe_weights)