Index

_

__fix_path() (phaseshifts.conphas.Conphas method) __set_data() (phaseshifts.conphas.Conphas method)

_getResults() (phaseshifts.leed.CSearch 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_PHASE, [1] CLEED_validator (class in phaseshifts.leed)

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

E

environment variable CLEED_PHASE, [1] CSEARCH_LEED PHASESHIFT_LEED, [1]

G

gen_atomic() (phaseshifts.model.MTZ_model method) gen_input() (phaseshifts.atorb.Atorb static method) (phaseshifts.model.MTZ_model method) get_electron_config() (in module phaseshifts.atorb) get_element() (in module phaseshifts.atorb)

get_elements() (phaseshifts.model.MTZ_model method) get_MTZ() (phaseshifts.model.MTZ_model method) get_quantum_info() (phaseshifts.atorb.Atorb static method) getIteration() (phaseshifts.leed.CSearch method) getRFactor() (phaseshifts.leed.CSearch method) getTimeStamp() (phaseshifts.leed.CSearch 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) module phaseshifts phaseshifts.atorb phaseshifts.conphas phaseshifts.elements phaseshifts.leed phaseshifts.model phaseshifts.phsh

MTZ_model (class in phaseshifts.model)

P

PHASESHIFT_LEED, [1] 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) setModel() (phaseshifts.leed.CSearch method) split_phasout() (phaseshifts.conphas.Conphas static method)

U

Unitcell (class in phaseshifts.model)

V

validate() (phaseshifts.leed.CLEED_validator method)