Index

_

_Conphas__fix_path() (phaseshifts.conphas.Conphas method) _Conphas__set_data() (phaseshifts.conphas.Conphas method)

_nineq_atoms() (phaseshifts.model.Model method)

A

add_atom() (phaseshifts.model.Model method) Atom (class in phaseshifts.model)

Atorb (class in phaseshifts.atorb)

C

calculate() (phaseshifts.conphas.Conphas method) calculate_MTZ() (phaseshifts.model.MTZ_model method) calculate_Q_density() (phaseshifts.atorb.Atorb static method) check_coordinates() (phaseshifts.model.Model method) CLEED_validator (class in phaseshifts.leed)

Conphas (class in phaseshifts.conphas) Converter (class in phaseshifts.leed) CoordinatesError create_atorbs() (phaseshifts.model.MTZ_model method)

G

gen_atomic() (phaseshifts.model.MTZ_model method) gen_input() (phaseshifts.atorb.Atorb static method) (phaseshifts.model.MTZ_model method) get_elements() (phaseshifts.model.MTZ_model method)

get_MTZ() (phaseshifts.model.MTZ_model method) get_quantum_info() (phaseshifts.atorb.Atorb static method)

I

import_CLEED() (phaseshifts.leed.Converter static method)

is_CLEED_file() (phaseshifts.leed.CLEED_validator static method)

L

load_data() (phaseshifts.conphas.Conphas method)

load_from_file() (phaseshifts.model.MTZ_model method)

M

Model (class in phaseshifts.model)

MTZ_model (class in phaseshifts.model)

P

phaseshifts (module) phaseshifts.atorb (module) phaseshifts.conphas (module) phaseshifts.elements (module)

phaseshifts.leed (module) phaseshifts.model (module) phaseshifts.phsh (module)

R

read_datafile() (phaseshifts.conphas.Conphas method)

replace_core_config() (phaseshifts.atorb.Atorb static method)

S

set_a() (phaseshifts.model.Unitcell method) set_alpha() (phaseshifts.model.Unitcell method) set_atoms() (phaseshifts.model.Model method) set_beta() (phaseshifts.model.Unitcell method) set_c() (phaseshifts.model.Unitcell method) set_coordinates() (phaseshifts.model.Atom method) set_exchange() (phaseshifts.model.MTZ_model method) set_format() (phaseshifts.conphas.Conphas method) set_gamma() (phaseshifts.model.Unitcell method) set_input_files() (phaseshifts.conphas.Conphas method)

set_lmax() (phaseshifts.conphas.Conphas method) set_mufftin_radius() (phaseshifts.model.Atom method) set_nform() (phaseshifts.model.MTZ_model method) set_nh() (phaseshifts.model.MTZ_model method) set_output_file() (phaseshifts.conphas.Conphas method) set_slab_c() (phaseshifts.model.MTZ_model method) set_unitcell() (phaseshifts.model.Model method) set_valence() (phaseshifts.model.Atom method) set_vectors() (phaseshifts.model.Unitcell method) split_phasout() (phaseshifts.conphas.Conphas static method)

U

Unitcell (class in phaseshifts.model)

V

validate() (phaseshifts.leed.CLEED_validator method)