Index

A

add_hs_point() (wulfric.Kpoints method)

add_sugar() (in module wulfric) angle_tolerance (wulfric.SpglibData attribute)

C

centring_type (wulfric.SpglibData attribute) clear() (wulfric.SyntacticSugar method) compare_with_tolerance() (in module wulfric) conventional_cell (wulfric.SpglibData attribute) conventional_positions (wulfric.SpglibData attribute)

conventional_types (wulfric.SpglibData attribute) ConventionNotSupported copy() (wulfric.Kpoints method) (wulfric.SyntacticSugar method) crystal_family (wulfric.SpglibData attribute) cure_negative() (in module wulfric.crystal)

D

dump_poscar() (in module wulfric.io)

E

ensure_000() (in module wulfric.crystal)

F

FailedToDeduceAtomSpecies flat_points() (wulfric.Kpoints method)

from_crystal() (wulfric.Kpoints static method) from_params() (in module wulfric.cell) fromkeys() (wulfric.SyntacticSugar class method)

G

get() (wulfric.SyntacticSugar method) get_angle() (in module wulfric.geometry) get_atom_species() (in module wulfric.crystal) get_atoms_species() (in module wulfric.crystal) get_brillouin_zone() (in module wulfric.cell) get_conventional() (in module wulfric.crystal) get_distance() (in module wulfric.crystal) get_lattice_points() (in module wulfric.cell) get_niggli() (in module wulfric.cell) get_params() (in module wulfric.cell) get_path_and_points() (in module wulfric.kpoints) get_path_as_list() (in module wulfric.kpoints)

get_path_as_string() (in module wulfric.kpoints) get_primitive() (in module wulfric.crystal) get_reciprocal() (in module wulfric.cell) get_scalar_products() (in module wulfric.cell) get_spglib_data() (in module wulfric) get_spglib_types() (in module wulfric) get_spherical() (in module wulfric.geometry) get_transformation_matrix() (in module wulfric.cell) get_unique_names() (in module wulfric.crystal) get_vector() (in module wulfric.crystal) get_volume() (in module wulfric.geometry) get_wigner_seitz_cell() (in module wulfric.cell)

H

hpkot_get_example() (in module wulfric.crystal)

hpkot_get_extended_bl_symbol() (in module wulfric.crystal) hs_table() (wulfric.Kpoints method)

I

items() (wulfric.SyntacticSugar method)

K

keys() (wulfric.SyntacticSugar method)

Kpoints (class in wulfric)

L

labels (wulfric.Kpoints property) lepage() (in module wulfric)

load_poscar() (in module wulfric.io) logo() (in module wulfric)

M

module wulfric

N

n (wulfric.Kpoints property)

NiggliReductionFailed

O

original_cell (wulfric.SpglibData attribute)

original_positions (wulfric.SpglibData attribute) original_types (wulfric.SpglibData attribute)

P

parallelepiped_check() (in module wulfric.geometry) path (wulfric.Kpoints property) path_string (wulfric.Kpoints property) plot_atoms() (wulfric.PlotlyEngine method) plot_brillouin_zone() (wulfric.PlotlyEngine method) plot_cell() (wulfric.PlotlyEngine method) plot_kpath() (wulfric.PlotlyEngine method) plot_kpoints() (wulfric.PlotlyEngine method) plot_lattice() (wulfric.PlotlyEngine method) plot_line() (wulfric.PlotlyEngine method)

plot_points() (wulfric.PlotlyEngine method) plot_vector() (wulfric.PlotlyEngine method) plot_wigner_seitz_cell() (wulfric.PlotlyEngine method) PlotlyEngine (class in wulfric) points() (wulfric.Kpoints method) pop() (wulfric.SyntacticSugar method) popitem() (wulfric.SyntacticSugar method) PotentialBugError primitive_cell (wulfric.SpglibData attribute) primitive_positions (wulfric.SpglibData attribute) primitive_types (wulfric.SpglibData attribute)

R

remove_hs_point() (wulfric.Kpoints method)

remove_sugar() (in module wulfric)

S

save() (wulfric.PlotlyEngine method) SC_BCC() (in module wulfric.cell) SC_BCT() (in module wulfric.cell) SC_CUB() (in module wulfric.cell) SC_FCC() (in module wulfric.cell) sc_get_example() (in module wulfric.cell) sc_get_variation() (in module wulfric.crystal) SC_HEX() (in module wulfric.cell) SC_MCL() (in module wulfric.cell) SC_MCLC() (in module wulfric.cell) SC_ORC() (in module wulfric.cell) SC_ORCC() (in module wulfric.cell)

SC_ORCF() (in module wulfric.cell) SC_ORCI() (in module wulfric.cell) SC_RHL() (in module wulfric.cell) SC_TET() (in module wulfric.cell) SC_TRI() (in module wulfric.cell) setdefault() (wulfric.SyntacticSugar method) shift_atoms() (in module wulfric.crystal) show() (wulfric.PlotlyEngine method) space_group_number (wulfric.SpglibData attribute) spglib_version (wulfric.SpglibData attribute) SpglibData (class in wulfric) symprec (wulfric.SpglibData attribute) SyntacticSugar (class in wulfric)

T

test() (in module wulfric)

ticks() (wulfric.Kpoints method)

U

update() (wulfric.SyntacticSugar method)

V

validate_atoms() (in module wulfric.crystal)

validate_spglib_data() (in module wulfric) values() (wulfric.SyntacticSugar method)

W

wulfric module