Index

_

__atnum2symbol__ (in module shnitsel.core.parse.common) __call__() (Converter method) __init__() (Datasheet method) __name__ (Converter attribute) _copy_data() (Datasheet method), [1], [2], [3] _default_idfn() (in module shnitsel.core.parse) _exnum (in module shnitsel.core.parse) _fields (in module shnitsel._contracts) _get_fosc() (in module shnitsel.core.postprocess) _idfn (in module shnitsel.core.parse) _ignore_none (ConsistentValue attribute) _method_needs (ShnitselAccessor attribute) _methods (DataArrayAccessor attribute) (DatasetAccessor attribute) (ShnitselAccessor attribute)

_obj (ShnitselAccessor attribute) _per_traj() (in module shnitsel.core.parse) _prepare_for_write() (in module shnitsel.core.ase) _re_grads (in module shnitsel.core.parse.sharc_icond) _re_nacs (in module shnitsel.core.parse.sharc_icond) _read_traj (in module shnitsel.core.parse) _reasons_unavailable() (ShnitselAccessor method) _repr_html_() (ShnitselAccessor method) _selected_on_change() (FrameSelector method) (TrajSelector method) _test_subfigures() (Datasheet method), [1], [2], [3] _val (ConsistentValue attribute) _var_delta_t_msg (in module shnitsel.core.postprocess) _weak (ConsistentValue attribute)

A

all_cutoffs() (in module shnitsel.core.filter_unphysical) angle() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] angle_() (in module shnitsel.core.postprocess) assign_fosc() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core) (in module shnitsel.core.postprocess), [1]

assign_levels() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.xrhelpers), [1] Astates (in module shnitsel.core.postprocess) AtXYZ (in module shnitsel.core.postprocess)

B

binning_with_min_entries() (in module shnitsel.core.plot.pca_biplot) biplot_kde() (in module shnitsel.core.plot) (in module shnitsel.core.plot.kde) (in module shnitsel.plot), [1] bkapp() (FrameSelector method) (TrajSelector method)

bond_type_to_symbols() (in module shnitsel.core.geom) broaden_gauss (core.postprocess attribute) broaden_gauss() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess)

C

calc_all() (Datasheet method), [1], [2], [3] calc_angle() (in module shnitsel.core.plot.pca_biplot) calc_ci() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] calc_dist() (in module shnitsel.core.plot.pca_biplot) calc_pops() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess), [1] calc_spectra() (in module shnitsel.core.spectra) can (Datasheet attribute), [1], [2], [3] center_geoms() (in module shnitsel.core.geom) centertext() (in module shnitsel.core.datasheet.common) charge (Datasheet attribute), [1], [2], [3], [4] check_dims() (in module shnitsel.core.parse.sharc_icond) ci_agg_last_dim() (in module shnitsel.core.postprocess) circbins() (in module shnitsel.core.plot.pca_biplot) cluster_general() (in module shnitsel.core.plot.pca_biplot)

cluster_loadings() (in module shnitsel.core.plot.pca_biplot) concat_trajs() (in module shnitsel.core.parse) ConsistentValue (class in shnitsel.core.parse.common) conversions (Converter attribute) convert_dipoles (in module shnitsel.core.postprocess) convert_dipoles() (DataArrayAccessor method) convert_energy (in module shnitsel.core.postprocess) convert_energy() (DataArrayAccessor method) convert_forces (in module shnitsel.core.postprocess) convert_forces() (DataArrayAccessor method) convert_length (in module shnitsel.core.postprocess) convert_length() (DataArrayAccessor method) Converter (class in shnitsel.core.postprocess) coords (Needs attribute) coords_or_vars (Needs attribute) create_marginals() (in module shnitsel.core.datasheet.hist) create_marginals_dict() (in module shnitsel.core.datasheet.hist) custom_ylgnr (in module shnitsel.core.datasheet.colormaps) cutoffs() (in module shnitsel.core.filter_unphysical)

D

da (FrameSelector attribute) DAManualAccessor (class in shnitsel._accessors) data (Trajres attribute) data_vars (Needs attribute) DATAARRAY_ACCESSOR_NAME (in module shnitsel._accessors) (in module shnitsel._state) DATAARRAY_ACCESSOR_REGISTERED (in module shnitsel._state) DataArrayAccessor (class in shnitsel._generated_accessors) DATASET_ACCESSOR_NAME (in module shnitsel._accessors) (in module shnitsel._state) DATASET_ACCESSOR_REGISTERED (in module shnitsel._state) DatasetAccessor (class in shnitsel._generated_accessors) Datasheet (class in shnitsel.core.datasheet) (class in shnitsel.core.datasheet.oop) (class in shnitsel.core.plot) (class in shnitsel.plot), [1] dcross() (in module shnitsel.core.postprocess) ddot() (in module shnitsel.core.postprocess) default_mol() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess), [1]

defined (ConsistentValue attribute) delta_E (Datasheet property), [1], [2], [3] df (FrameSelector attribute) df_selection (FrameSelector property) dihedral() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core) (in module shnitsel.core.postprocess), [1] dihedral_() (in module shnitsel.core.postprocess) DimName (in module shnitsel.core.postprocess) dims (Needs attribute) dims_from_QM_log() (in module shnitsel.core.parse.sharc_icond) dims_from_QM_out() (in module shnitsel.core.parse.sharc_icond) dip_sep() (in module shnitsel.core.parse.common) dir_of_iconds() (in module shnitsel.core.parse.sharc_icond) dirs_of_iconds() (in module shnitsel.core.parse.sharc_icond) distance() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] dnorm() (in module shnitsel.core.postprocess) ds_broaden_gauss() (in module shnitsel.core.postprocess) DSManualAccessor (class in shnitsel._accessors)

E

energy_filtranda() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.filtre), [1] eval_kdes() (in module shnitsel.core.plot.kde) exclude_involving_state() (in module shnitsel.core.filter_unphysical) exclude_overlong() (in module shnitsel.core.filter_unphysical)

exclude_trajs() (in module shnitsel.core.filter_unphysical) expand_midx() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.xrhelpers), [1] extrude() (in module shnitsel.core.plot.pca_biplot)

F

figax() (in module shnitsel.core.plot.pca_biplot) figaxs_defaults() (in module shnitsel.core.datasheet.common) filter_cleavage() (in module shnitsel.core.filter_unphysical) filter_cluster_coords() (in module shnitsel.core.plot.pca_biplot) find_bonds_by_element() (in module shnitsel.core.filter_unphysical) find_eccentric() (in module shnitsel.core.filter_unphysical) find_hops (core.postprocess attribute) find_hops() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess) find_overlong() (in module shnitsel.core.filter_unphysical) find_traj_hops() (in module shnitsel.core.postprocess) fit_and_eval_kdes() (in module shnitsel.core.plot.kde) fit_kdes() (in module shnitsel.core.plot.kde) flatten_levels() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.xrhelpers), [1]

flatten_midx() (in module shnitsel.core.xrhelpers) format_inchi() (in module shnitsel.core.datasheet.structure) fosc_time (Datasheet property), [1], [2], [3] frame3D() (DataArrayAccessor method) (in module shnitsel.core.plot.p3mhelpers) frames (Datasheet attribute), [1], [2], [3] Frames (in module shnitsel.core.postprocess) frames3Dgrid() (DataArrayAccessor method) (in module shnitsel.core.plot.p3mhelpers) FrameSelector (class in shnitsel.core.plot.select) FrameSelector() (DataArrayAccessor method) from_variables() (TrajIndex class method) full_dihedral_() (in module shnitsel.core.postprocess)

G

gather_traj_metadata() (in module shnitsel.core.parse) get_bats() (DataArrayAccessor method) (in module shnitsel.core.geom) get_bond_angles() (DataArrayAccessor method) (in module shnitsel.core.geom) get_bond_lengths() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.filtre) (in module shnitsel.core.geom) get_bond_torsions() (DataArrayAccessor method) (in module shnitsel.core.geom) get_clusters_coords() (in module shnitsel.core.plot.pca_biplot) get_cutoffs() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.filtre), [1] get_dipoles_per_xyz() (in module shnitsel.core.parse.common) get_fosc() (in module shnitsel.core.postprocess) get_hop_types() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1]

get_inter_state() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core) (in module shnitsel.core.postprocess), [1] get_loadings() (in module shnitsel.core.plot.pca_biplot) get_mask() (in module shnitsel.core.plot.pca_biplot) get_per_state (core.postprocess attribute) get_per_state() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core) (in module shnitsel.core.postprocess) get_sgroups() (in module shnitsel.core.spectra) get_spectrum() (in module shnitsel.core.spectra) get_subfigures() (Datasheet static method), [1], [2], [3] get_triangular() (in module shnitsel.core.parse.common) get_xx_yy() (in module shnitsel.core.plot.kde) groupable (Needs attribute)

H

highlight_pairs() (in module shnitsel.core.plot.pca_biplot) hop_indices() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1]

hops (Datasheet property), [1], [2], [3]

I

IcondPath (class in shnitsel.core.parse.sharc_icond) iconds_to_frames (core.parse.sharc_icond attribute) iconds_to_frames() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.parse.sharc_icond) identify_angles() (in module shnitsel.core.geom) identify_bonds() (in module shnitsel.core.geom)

identify_torsions() (in module shnitsel.core.geom) idx (IcondPath attribute) inchi (Datasheet property), [1], [2], [3] init_iconds() (in module shnitsel.core.parse.sharc_icond) inlabel() (in module shnitsel.core.plot.common) (in module shnitsel.core.plot.spectra3d) inter_state (Datasheet property), [1], [2], [3] InterState (in module shnitsel.core.postprocess)

K

kabsch() (DataArrayAccessor method) (in module shnitsel.core.geom)

keep_norming() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1]

L

last_time_where() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.filtre), [1] layer_trajs() (in module shnitsel.core.parse)

lda() (DataArrayAccessor method) (in module shnitsel.core.ml) lengths_sorted() (in module shnitsel.core.filter_unphysical) list_iconds() (in module shnitsel.core.parse.sharc_icond)

M

magma_rw (in module shnitsel.core.datasheet.colormaps) max_bond_lengths() (in module shnitsel.core.filter_unphysical) mgroupby() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.xrhelpers), [1] midx_combs() (in module shnitsel.core.xrhelpers) misc_error (Trajres attribute) missing_file (Trajres attribute) module shnitsel, [1] shnitsel._accessors shnitsel._contracts shnitsel._generated_accessors shnitsel._state shnitsel.core shnitsel.core.ase, [1] shnitsel.core.datasheet, [1] shnitsel.core.datasheet.colormaps, [1] shnitsel.core.datasheet.common, [1] shnitsel.core.datasheet.dip_trans_hist, [1] shnitsel.core.datasheet.hist, [1] shnitsel.core.datasheet.nacs_hist, [1] shnitsel.core.datasheet.oop, [1] shnitsel.core.datasheet.per_state_hist, [1] shnitsel.core.datasheet.structure, [1] shnitsel.core.datasheet.time, [1] shnitsel.core.filter_unphysical shnitsel.core.filtre, [1] shnitsel.core.geom, [1] shnitsel.core.indexes shnitsel.core.ml, [1] shnitsel.core.parse shnitsel.core.parse.common shnitsel.core.parse.nx shnitsel.core.parse.pyrai2md shnitsel.core.parse.sharc_icond shnitsel.core.parse.sharc_traj shnitsel.core.parse.xyz shnitsel.core.plot, [1] shnitsel.core.plot.common, [1] shnitsel.core.plot.kde, [1] shnitsel.core.plot.p3mhelpers, [1] shnitsel.core.plot.pca_biplot, [1] shnitsel.core.plot.polychrom, [1] shnitsel.core.plot.select, [1] shnitsel.core.plot.spectra3d, [1] shnitsel.core.postprocess, [1] shnitsel.core.spectra, [1] shnitsel.core.xrhelpers, [1] shnitsel.filtre shnitsel.plot, [1] shnitsel.rd shnitsel.xarray

mol (Datasheet property), [1], [2], [3] mol_skeletal (Datasheet property), [1], [2], [3] mol_to_numbered_smiles() (in module shnitsel.core.postprocess) mol_to_png() (in module shnitsel.core.datasheet.structure) mpl_imshow_png() (in module shnitsel.core.plot.pca_biplot) msel() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.xrhelpers), [1]

N

name (ConsistentValue attribute) (Datasheet attribute), [1], [2], [3] (Needs attribute) nans() (in module shnitsel.core.parse.sharc_icond) Needs (class in shnitsel._contracts) needs() (in module shnitsel._contracts)

noodle (Datasheet property), [1], [2], [3] norm() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] normal() (in module shnitsel.core.postprocess) not_dims (Needs attribute) numbered_smiles_to_mol() (in module shnitsel.core.postprocess)

O

open_frames() (in module shnitsel), [1], [2] (in module shnitsel.core) (in module shnitsel.core.xrhelpers)

outlabel() (in module shnitsel.core.plot.common)

P

pairwise_dists_pca() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] parse_input() (in module shnitsel.core.parse.sharc_traj) parse_log() (in module shnitsel.core.parse.pyrai2md) parse_md_energies() (in module shnitsel.core.parse.pyrai2md) parse_nx_log() (in module shnitsel.core.parse.nx) parse_QM_log() (in module shnitsel.core.parse.sharc_icond) parse_QM_log_geom() (in module shnitsel.core.parse.sharc_icond) parse_QM_out() (in module shnitsel.core.parse.sharc_icond) parse_trajout_dat() (in module shnitsel.core.parse.sharc_traj) parse_trajout_xyz() (in module shnitsel.core.parse.sharc_traj) parse_xyz() (in module shnitsel.core.parse.xyz) path (IcondPath attribute) pca() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.ml) (in module shnitsel.core.postprocess) pca_and_hops (core.postprocess attribute) pca_and_hops() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess) pca_line_plot() (in module shnitsel.core.plot.polychrom) pcm_plots() (in module shnitsel.core.plot) (in module shnitsel.core.plot.spectra3d) (in module shnitsel.plot) per_state (Datasheet property), [1], [2], [3] PerState (in module shnitsel.core.postprocess) pick_clusters() (in module shnitsel.core.plot.pca_biplot) pick_statecombs() (in module shnitsel.core.postprocess) plot() (Datasheet method), [1], [2], [3], [4] plot_bin_edges() (in module shnitsel.core.plot.pca_biplot)

plot_cdf_for_kde() (in module shnitsel.core.plot) (in module shnitsel.core.plot.kde) (in module shnitsel.plot) plot_clusters() (in module shnitsel.core.plot.pca_biplot) plot_clusters2() (in module shnitsel.core.plot.pca_biplot) plot_clusters3() (in module shnitsel.core.plot.pca_biplot) plot_dip_trans_histograms() (in module shnitsel.core.datasheet.dip_trans_hist) plot_kdes() (in module shnitsel.core.plot.kde) plot_loadings() (in module shnitsel.core.plot.pca_biplot) plot_nacs_histograms() (Datasheet method), [1], [2], [3] (in module shnitsel.core.datasheet.nacs_hist) plot_noodle() (Datasheet method), [1], [2], [3] plot_noodleplot() (in module shnitsel.core.plot.pca_biplot) plot_noodleplot_lines() (in module shnitsel.core.plot.pca_biplot) plot_per_state_histograms() (Datasheet method), [1], [2], [3] (in module shnitsel.core.datasheet.per_state_hist) plot_pops() (in module shnitsel.core.datasheet.time) plot_separated_spectra_and_hists() (Datasheet method), [1], [2], [3], [4] (in module shnitsel.core.datasheet.dip_trans_hist) plot_separated_spectra_and_hists_groundstate() (Datasheet method), [1], [2], [3] (in module shnitsel.core.datasheet.dip_trans_hist) plot_spectra() (in module shnitsel.core.datasheet.dip_trans_hist) plot_structure() (Datasheet method), [1], [2], [3] (in module shnitsel.core.datasheet.structure) plot_time_interstate_error() (in module shnitsel.core.datasheet.time) plot_timeplots() (Datasheet method), [1], [2], [3], [4] (in module shnitsel.core.datasheet.time) pls() (DataArrayAccessor method) (in module shnitsel.core.ml) pls_ds() (DatasetAccessor method) (in module shnitsel.core.ml) pops (Datasheet property), [1], [2], [3]

Q

quantity (Converter attribute)

R

read_ase() (in module shnitsel), [1], [2] (in module shnitsel.core.ase) read_iconds() (in module shnitsel.core.parse.sharc_icond) read_traj() (in module shnitsel.core.parse.nx) (in module shnitsel.core.parse.pyrai2md) (in module shnitsel.core.parse.sharc_traj) read_trajs() (in module shnitsel), [1] (in module shnitsel.core.parse)

read_trajs_list() (in module shnitsel.core.parse) read_trajs_parallel() (in module shnitsel.core.parse) READERS (in module shnitsel.core.parse) relativize() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] replace_total() (in module shnitsel.core.xrhelpers)

S

save_frames() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core) (in module shnitsel.core.xrhelpers), [1] save_split() (in module shnitsel.core.xrhelpers) sel() (TrajIndex method) sel_trajids() (DataArrayAccessor method) (in module shnitsel.core.xrhelpers) sel_trajs() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.xrhelpers), [1] selected_frame_indices (FrameSelector attribute) selection (FrameSelector property) sep_ground_excited_spectra() (in module shnitsel.core.spectra) separate_angles() (in module shnitsel.core.plot.pca_biplot) set_atom_props() (in module shnitsel.core.postprocess) setup_frames (core.postprocess attribute) setup_frames() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess) shnitsel module, [1] shnitsel._accessors module shnitsel._contracts module shnitsel._generated_accessors module shnitsel._state module shnitsel.core module shnitsel.core.ase module, [1] shnitsel.core.datasheet module, [1] shnitsel.core.datasheet.colormaps module, [1] shnitsel.core.datasheet.common module, [1] shnitsel.core.datasheet.dip_trans_hist module, [1] shnitsel.core.datasheet.hist module, [1] shnitsel.core.datasheet.nacs_hist module, [1] shnitsel.core.datasheet.oop module, [1] shnitsel.core.datasheet.per_state_hist module, [1] shnitsel.core.datasheet.structure module, [1] shnitsel.core.datasheet.time module, [1] shnitsel.core.filter_unphysical module shnitsel.core.filtre module, [1] shnitsel.core.geom module, [1] shnitsel.core.indexes module shnitsel.core.ml module, [1] shnitsel.core.parse module shnitsel.core.parse.common module shnitsel.core.parse.nx module

shnitsel.core.parse.pyrai2md module shnitsel.core.parse.sharc_icond module shnitsel.core.parse.sharc_traj module shnitsel.core.parse.xyz module shnitsel.core.plot module, [1] shnitsel.core.plot.common module, [1] shnitsel.core.plot.kde module, [1] shnitsel.core.plot.p3mhelpers module, [1] shnitsel.core.plot.pca_biplot module, [1] shnitsel.core.plot.polychrom module, [1] shnitsel.core.plot.select module, [1] shnitsel.core.plot.spectra3d module, [1] shnitsel.core.postprocess module, [1] shnitsel.core.spectra module, [1] shnitsel.core.xrhelpers module, [1] shnitsel.filtre module shnitsel.plot module, [1] shnitsel.rd module shnitsel.xarray module ShnitselAccessor (class in shnitsel._accessors) show_atom_numbers() (in module shnitsel.core.plot) (in module shnitsel.core.plot.pca_biplot) (in module shnitsel.plot) show_bonds_mol() (in module shnitsel.core.filter_unphysical) single_hist() (in module shnitsel.core.datasheet.dip_trans_hist) ski_plots() (in module shnitsel.core.plot) (in module shnitsel.core.plot.spectra3d) (in module shnitsel.plot), [1] smiles (Datasheet property), [1], [2], [3] smiles_map() (DataArrayAccessor method) (in module shnitsel.core.filter_unphysical) spectra (Datasheet property), [1], [2], [3] spectra_all_times() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core) (in module shnitsel.core.plot.spectra3d), [1] spectra_excited (Datasheet property), [1], [2], [3] spectra_ground (Datasheet property), [1], [2], [3] spectra_groups (Datasheet property), [1], [2], [3] spectra_times (Datasheet attribute), [1], [2], [3] split_for_saving() (in module shnitsel.core.xrhelpers) stack_trajs() (DatasetAccessor method) (in module shnitsel.core.xrhelpers) structure_atXYZ (Datasheet property), [1], [2], [3] structure_skeletal (Datasheet attribute), [1], [2], [3] subtract_combinations() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] sudi() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] suitable (ShnitselAccessor attribute) symbols (in module shnitsel.core.datasheet.common)

T

targets (Converter attribute) time_grouped_ci() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] title (FrameSelector attribute) to_be (Needs attribute) to_mol() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] to_xyz() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] traj3D() (DataArrayAccessor method) (in module shnitsel.core.plot.p3mhelpers) traj_to_xyz() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] Trajid (in module shnitsel.core.parse) trajid (Trajres attribute)

TrajIndex (class in shnitsel.core.indexes) Trajres (class in shnitsel.core.parse) trajs3Dgrid() (DataArrayAccessor method) (in module shnitsel.core.plot.p3mhelpers) trajs_where() (in module shnitsel.core.filtre) trajs_with_hops() (DataArray.sh method) (DataArrayAccessor method) (in module shnitsel.core.postprocess), [1] TrajSelector (class in shnitsel.core.plot.select) TrajSelector() (DataArrayAccessor method) trunc_max() (in module shnitsel.core.datasheet.hist) truncate() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.datasheet.hist) (in module shnitsel.core.filtre), [1] ts_to_time() (DataArray.sh method) (DataArrayAccessor method) (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess), [1]

U

unstack_trajs() (DatasetAccessor method) (in module shnitsel.core.xrhelpers)

unsuitable (ShnitselAccessor attribute)

V

v (ConsistentValue property) validate (core.postprocess attribute)

validate() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.postprocess)

W

webgl (FrameSelector attribute) write_ase() (Dataset.sh method) (DatasetAccessor method) (in module shnitsel.core.ase), [1]

X

xname (FrameSelector attribute)

xr_calc_ci() (in module shnitsel.core.postprocess)

Y

yname (FrameSelector attribute)