Index

A

add() (ipyvasp.Files method) (ipyvasp.widgets.Files method) add_atoms() (ipyvasp.lattice.POSCAR method) add_colorbar() (in module ipyvasp.core.plot_toolkit) add_legend() (in module ipyvasp.core.plot_toolkit) add_text() (in module ipyvasp.core.plot_toolkit)

add_vaccum() (ipyvasp.lattice.POSCAR method) adjust_axes() (in module ipyvasp.core.plot_toolkit) angle_deg() (in module ipyvasp.core.spatial_toolkit) angle_rad() (in module ipyvasp.core.spatial_toolkit) angles (ipyvasp.core.serializer.PoscarData property) append_axes() (in module ipyvasp.core.plot_toolkit) auto_renderer (ipyvasp.lattice.POSCAR property)

B

b() (ipyvasp.utils.color method) Bands (class in ipyvasp.bsdos) bands (ipyvasp.core.parser.Vaspout property) (ipyvasp.core.parser.Vasprun property) (ipyvasp.widgets.BandsWidget property) bands_widget() (ipyvasp.Files method) (ipyvasp.widgets.Files method)

BandsWidget (class in ipyvasp.widgets) bb() (ipyvasp.utils.color method) bg() (ipyvasp.utils.color method) break_spines() (in module ipyvasp.core.plot_toolkit) BrZoneData (class in ipyvasp.core.serializer) bz (ipyvasp.lattice.POSCAR property)

C

c() (ipyvasp.utils.color method) cb() (ipyvasp.utils.color method) cell (ipyvasp.lattice.POSCAR property) CellData (class in ipyvasp.core.serializer) CHG (class in ipyvasp.potential) clicked_data (ipyvasp.widgets.BandsWidget attribute) color (class in ipyvasp.utils) color_cube() (in module ipyvasp.core.plot_toolkit)

color_wheel() (in module ipyvasp.core.plot_toolkit) content (ipyvasp.lattice.POSCAR property) convert() (ipyvasp.lattice.POSCAR method) coords (ipyvasp.core.serializer.PoscarData property) coplanar() (in module ipyvasp.core.spatial_toolkit) copy() (ipyvasp.core.serializer.Dict2Data method) (ipyvasp.lattice.POSCAR method) create_colormap() (in module ipyvasp.utils)

D

data (ipyvasp.lattice.POSCAR property) (ipyvasp.misc.OUTCAR property) (ipyvasp.OUTCAR property) (ipyvasp.potential.LOCPOT property) deform() (ipyvasp.lattice.POSCAR method) Dict2Data (class in ipyvasp.core.serializer)

dict2tuple() (in module ipyvasp.core.serializer) DOS (class in ipyvasp.bsdos) dos (ipyvasp.core.parser.Vaspout property) (ipyvasp.core.parser.Vasprun property) download() (ipyvasp.lattice.POSCAR class method) download_structure() (in module ipyvasp.lattice) dump() (in module ipyvasp.core.serializer)

E

ELFCAR (class in ipyvasp.potential)

F

faces_coords (ipyvasp.core.serializer.BrZoneData property) (ipyvasp.core.serializer.CellData property) fg() (ipyvasp.utils.color method) file (ipyvasp.widgets.BandsWidget attribute) (ipyvasp.widgets.KPathWidget attribute) Files (class in ipyvasp) (class in ipyvasp.widgets)

filter_atoms() (ipyvasp.lattice.POSCAR method) filtered() (ipyvasp.Files method) (ipyvasp.widgets.Files method) from_cif() (ipyvasp.lattice.POSCAR class method) from_clipborad() (ipyvasp.lattice.POSCAR class method) from_file() (ipyvasp.lattice.POSCAR class method) from_string() (ipyvasp.lattice.POSCAR class method)

G

G (ipyvasp.core.serializer.PoscarData property) g() (ipyvasp.utils.color method) gap (ipyvasp.bsdos.Bands property) gb() (ipyvasp.utils.color method) get_axes() (in module ipyvasp) (in module ipyvasp.core.plot_toolkit) get_bib() (in module ipyvasp.misc) get_bond_data() (ipyvasp.core.serializer.PoscarData method) get_bz() (in module ipyvasp.core.spatial_toolkit) (ipyvasp.lattice.POSCAR method) get_cell() (ipyvasp.lattice.POSCAR method) get_coords_labels() (ipyvasp.widgets.KPathWidget method) get_data() (ipyvasp.bsdos.Bands method) (ipyvasp.bsdos.DOS method) get_distance() (ipyvasp.core.serializer.PoscarData method) get_distances() (ipyvasp.core.serializer.PoscarData method) get_dos() (ipyvasp.core.parser.Vasprun method) get_E0() (in module ipyvasp.misc) get_evals() (ipyvasp.core.parser.Vasprun method) get_evals_dataframe() (ipyvasp.core.parser.Vaspout method) (ipyvasp.core.parser.Vasprun method) get_file_size() (in module ipyvasp.utils)

get_forces() (ipyvasp.core.parser.Vasprun method) get_kmesh() (in module ipyvasp.lattice) (ipyvasp.lattice.POSCAR method) get_knn() (ipyvasp.core.serializer.PoscarData method) get_kpath() (in module ipyvasp.lattice) (ipyvasp.lattice.POSCAR method) (ipyvasp.widgets.KPathWidget method) get_kpoints() (ipyvasp.core.parser.Vasprun method) (ipyvasp.widgets.KPathWidget method) get_kticks() (ipyvasp.bsdos.Bands method) get_neighbors() (ipyvasp.core.serializer.PoscarData method) get_plane() (ipyvasp.lattice.POSCAR method) get_plot_coords() (ipyvasp.bsdos.Bands method) get_scsteps() (ipyvasp.core.parser.Vasprun method) get_selective_dynamics() (ipyvasp.core.serializer.PoscarData method) get_sites() (ipyvasp.core.serializer.PoscarData method) get_special_points() (ipyvasp.core.serializer.BrZoneData method) get_structure() (ipyvasp.core.parser.Vasprun method) get_summary() (ipyvasp.core.parser.Vasprun method) get_TM() (in module ipyvasp.core.spatial_toolkit) (ipyvasp.lattice.POSCAR method) global_matplotlib_settings() (in module ipyvasp.core.plot_toolkit)

I

image2plt() (in module ipyvasp) (in module ipyvasp.core.plot_toolkit) input_info() (ipyvasp.Files method) (ipyvasp.widgets.Files method) inside_convexhull() (in module ipyvasp.core.spatial_toolkit) interact() (ipyvasp.Files method) (ipyvasp.widgets.Files method) interactive() (ipyvasp.Files method) (ipyvasp.widgets.Files method) interpolate_data() (in module ipyvasp.utils) iplot() (ipyvasp.core.serializer.BrZoneData method) (ipyvasp.core.serializer.CellData method) (ipyvasp.widgets.KPathWidget method) iplot2html() (in module ipyvasp) (in module ipyvasp.core.plot_toolkit) iplot2widget() (in module ipyvasp) (in module ipyvasp.core.plot_toolkit) iplot_bands() (in module ipyvasp.bsdos) (ipyvasp.bsdos.Bands method) iplot_bz() (in module ipyvasp.lattice) (ipyvasp.lattice.POSCAR method) iplot_cell() (ipyvasp.lattice.POSCAR method) iplot_dos_lines() (in module ipyvasp.bsdos) (ipyvasp.bsdos.DOS method) iplot_lattice() (ipyvasp.lattice.POSCAR method)

iplot_plane() (ipyvasp.lattice.POSCAR method) iplot_rgb_lines() (in module ipyvasp.bsdos) (ipyvasp.bsdos.Bands method) ipyvasp module ipyvasp.bsdos module, [1] ipyvasp.core.parser module, [1] ipyvasp.core.plot_toolkit module, [1] ipyvasp.core.serializer module, [1] ipyvasp.core.spatial_toolkit module, [1] ipyvasp.lattice module, [1] ipyvasp.misc module, [1] ipyvasp.potential module, [1] ipyvasp.utils module, [1] ipyvasp.widgets module, [1] items() (ipyvasp.core.serializer.Dict2Data method)

J

join() (ipyvasp.lattice.POSCAR method)

join_axes() (in module ipyvasp.core.plot_toolkit)

K

keys() (ipyvasp.core.serializer.Dict2Data method) kpath_widget() (ipyvasp.Files method) (ipyvasp.widgets.Files method)

KPathWidget (class in ipyvasp.widgets) kpoints2bz() (in module ipyvasp.core.spatial_toolkit) kws (ipyvasp.widgets.BandsWidget property)

L

labels (ipyvasp.core.serializer.PoscarData property) last (ipyvasp.lattice.POSCAR property) load() (in module ipyvasp.core.serializer) load_results() (in module ipyvasp) (in module ipyvasp.widgets) (ipyvasp.Files method) (ipyvasp.widgets.Files method)

LOCPOT (class in ipyvasp.potential)

M

m() (ipyvasp.utils.color method) map() (ipyvasp.Files method) (ipyvasp.widgets.Files method) map_kpoints() (ipyvasp.core.serializer.BrZoneData method) mapf() (ipyvasp.Files method) (ipyvasp.widgets.Files method) mb() (ipyvasp.utils.color method) metadata (ipyvasp.lattice.POSCAR property) metric() (ipyvasp.core.serializer.PoscarData method) minify() (ipyvasp.core.parser.Vasprun method) minify_vasprun() (in module ipyvasp.core.parser) mirror() (ipyvasp.lattice.POSCAR method)

module ipyvasp ipyvasp.bsdos, [1] ipyvasp.core.parser, [1] ipyvasp.core.plot_toolkit, [1] ipyvasp.core.serializer, [1] ipyvasp.core.spatial_toolkit, [1] ipyvasp.lattice, [1] ipyvasp.misc, [1] ipyvasp.potential, [1] ipyvasp.utils, [1] ipyvasp.widgets, [1]

N

new() (ipyvasp.lattice.POSCAR class method) ngl_viewer() (in module ipyvasp.lattice)

normals (ipyvasp.core.serializer.BrZoneData property) (ipyvasp.core.serializer.CellData property) norms (ipyvasp.core.serializer.PoscarData property)

O

order() (in module ipyvasp.core.spatial_toolkit) OUTCAR (class in ipyvasp) (class in ipyvasp.misc)

outer_side() (in module ipyvasp.core.spatial_toolkit)

P

PARCHG (class in ipyvasp.potential) parse_text() (in module ipyvasp) (in module ipyvasp.misc) path (ipyvasp.lattice.POSCAR property) (ipyvasp.misc.OUTCAR property) (ipyvasp.OUTCAR property) pbz (ipyvasp.lattice.POSCAR property) periodic_table() (in module ipyvasp.lattice) plt2html() (in module ipyvasp) (in module ipyvasp.core.plot_toolkit)

plt2text() (in module ipyvasp) (in module ipyvasp.core.plot_toolkit) POSCAR (class in ipyvasp.lattice) poscar (ipyvasp.core.parser.Vaspout property) (ipyvasp.core.parser.Vasprun property) (ipyvasp.potential.LOCPOT property) (ipyvasp.widgets.KPathWidget property) PoscarData (class in ipyvasp.core.serializer) projections (ipyvasp.widgets.PropsPicker attribute) PropsPicker (class in ipyvasp.widgets)

Q

quiver3d() (in module ipyvasp.core.plot_toolkit)

R

r() (ipyvasp.utils.color method) rb() (ipyvasp.utils.color method) read() (in module ipyvasp.core.parser) (ipyvasp.core.parser.Vasprun method) (ipyvasp.misc.OUTCAR method) (ipyvasp.OUTCAR method) rec_angles (ipyvasp.core.serializer.PoscarData property) rec_basis (ipyvasp.core.serializer.PoscarData property)

rec_norms (ipyvasp.core.serializer.PoscarData property) rec_volume (ipyvasp.core.serializer.PoscarData property) remove_atoms() (ipyvasp.lattice.POSCAR method) repeat() (ipyvasp.lattice.POSCAR method) replace_atoms() (ipyvasp.lattice.POSCAR method) results() (ipyvasp.widgets.BandsWidget method) rolling_mean() (in module ipyvasp.utils) rotate() (ipyvasp.lattice.POSCAR method) rotation() (in module ipyvasp.core.spatial_toolkit)

S

scale() (ipyvasp.lattice.POSCAR method) selected_data (ipyvasp.widgets.BandsWidget attribute) set_boundary() (ipyvasp.lattice.POSCAR method) set_dir() (in module ipyvasp.utils) set_zdir() (ipyvasp.lattice.POSCAR method) simplify_faces() (in module ipyvasp.core.spatial_toolkit) sites (ipyvasp.core.serializer.PoscarData property) sort() (ipyvasp.lattice.POSCAR method) source (ipyvasp.widgets.BandsWidget property) specials (ipyvasp.core.serializer.BrZoneData property) splot() (ipyvasp.core.serializer.BrZoneData method) (ipyvasp.core.serializer.CellData method) (ipyvasp.potential.LOCPOT method) (ipyvasp.widgets.KPathWidget method) splot_bands() (in module ipyvasp.bsdos) (ipyvasp.bsdos.Bands method) splot_bz() (in module ipyvasp.lattice) (ipyvasp.lattice.POSCAR method) splot_cell() (ipyvasp.lattice.POSCAR method)

splot_color_lines() (in module ipyvasp.bsdos) (ipyvasp.bsdos.Bands method) splot_dos_lines() (in module ipyvasp.bsdos) (ipyvasp.bsdos.DOS method) splot_kpath() (ipyvasp.core.serializer.BrZoneData method) (ipyvasp.lattice.POSCAR method) splot_lattice() (ipyvasp.lattice.POSCAR method) splot_plane() (ipyvasp.lattice.POSCAR method) splot_potential() (in module ipyvasp.potential) splot_rgb_lines() (in module ipyvasp.bsdos) (ipyvasp.bsdos.Bands method) stat() (ipyvasp.Files method) (ipyvasp.widgets.Files method) subzone() (ipyvasp.core.serializer.BrZoneData method) summarize() (in module ipyvasp) (in module ipyvasp.widgets) (ipyvasp.Files method) (ipyvasp.widgets.Files method) symbols (ipyvasp.core.serializer.PoscarData property)

T

take() (in module ipyvasp) (in module ipyvasp.utils) tan_inv() (in module ipyvasp.core.spatial_toolkit) to_ase() (ipyvasp.lattice.POSCAR method) to_basis() (in module ipyvasp.core.spatial_toolkit) to_cartesian() (ipyvasp.core.serializer.BrZoneData method) (ipyvasp.core.serializer.CellData method) (ipyvasp.core.serializer.PoscarData method) to_clipboard() (ipyvasp.lattice.POSCAR method) to_dict() (ipyvasp.core.serializer.Dict2Data method) (ipyvasp.lattice.POSCAR method) to_dropdown() (ipyvasp.Files method) (ipyvasp.widgets.Files method)

to_fractional() (ipyvasp.core.serializer.BrZoneData method) (ipyvasp.core.serializer.CellData method) (ipyvasp.core.serializer.PoscarData method) to_json() (ipyvasp.core.serializer.Dict2Data method) to_pickle() (ipyvasp.core.serializer.Dict2Data method) to_plane() (in module ipyvasp.core.spatial_toolkit) to_R3() (in module ipyvasp.core.spatial_toolkit) to_tuple() (ipyvasp.core.serializer.Dict2Data method) transform() (ipyvasp.lattice.POSCAR method) transform_color() (in module ipyvasp.utils) translate() (ipyvasp.lattice.POSCAR method) translate_inside() (ipyvasp.core.serializer.BrZoneData method) transpose() (ipyvasp.lattice.POSCAR method)

U

update() (ipyvasp.Files method) (ipyvasp.widgets.Files method) (ipyvasp.widgets.PropsPicker method)

V

validated() (ipyvasp.core.serializer.Dict2Data class method) values() (ipyvasp.core.serializer.Dict2Data method) Vaspout (class in ipyvasp.core.parser) Vasprun (class in ipyvasp.core.parser) view() (ipyvasp.lattice.POSCAR method) view_bands() (ipyvasp.bsdos.Bands method)

view_kpath() (ipyvasp.lattice.POSCAR method) view_ngl() (ipyvasp.lattice.POSCAR method) view_period() (ipyvasp.potential.LOCPOT method) view_plotly() (ipyvasp.lattice.POSCAR method) view_slice() (ipyvasp.potential.LOCPOT method) view_weas() (ipyvasp.lattice.POSCAR method) volume (ipyvasp.core.serializer.PoscarData property)

W

webshow() (in module ipyvasp) (in module ipyvasp.core.plot_toolkit)

with_name() (ipyvasp.Files method) (ipyvasp.widgets.Files method) write() (ipyvasp.lattice.POSCAR method)

X

xml2dict() (in module ipyvasp.core.parser)

Y

y() (ipyvasp.utils.color method)

yb() (ipyvasp.utils.color method)