aiida-kkr
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aiida-kkr
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Index
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A
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C
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D
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E
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F
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G
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H
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I
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K
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M
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N
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P
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R
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S
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T
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U
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V
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W
_
__init__() (aiida_kkr.parsers.kkr.KkrParser method)
(aiida_kkr.parsers.kkrimp.KkrimpParser method)
(aiida_kkr.parsers.kkrimporter.KkrImporterParser method)
(aiida_kkr.parsers.kkrnano.KKRnanoParser method)
(aiida_kkr.parsers.voro.VoronoiParser method)
(aiida_kkr.tools.plot_kkr.plot_kkr method)
__weakref__ (aiida_kkr.tools.plot_kkr.plot_kkr attribute)
(aiida_kkr.tools.tools_kkrimp.modify_potential attribute)
_activate_jij_calc() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_change_atominfo() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_check_and_extract_input_nodes() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_check_file_existance() (aiida_kkr.parsers.kkrimp.KkrimpParser method)
_check_illegal_parameter_overwrite() (aiida_kkr.calculations.kkr.KkrCalculation method)
_check_input_dict() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_check_key_setting_consistency() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_check_tk_gui() (in module aiida_kkr.tools.plot_kkr)
_check_valid_parent() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
(aiida_kkr.calculations.voro.VoronoiCalculation method)
_convert_all_values_2_python_natives() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_copy_BdG_pot() (aiida_kkr.calculations.kkr.KkrCalculation method)
_create_or_update_ldaupot() (aiida_kkr.calculations.kkr.KkrCalculation method)
_dict_from_table() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_extract_and_write_config() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_extract_l_valence_charges() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_find_block() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_findSimpleEntries() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_get_and_verify_hostfiles() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_get_BdG_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_deci_file() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_default_retrieve_list() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_dos_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_index_list() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_get_Jij_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_jijrad() (aiida_kkr.workflows.jijs.kkr_jij_wc method)
_get_kkrflex_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_lattice_constant() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_get_lines() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_get_local_copy_list() (aiida_kkr.calculations.kkr.KkrCalculation method)
(aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_get_natom() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_get_new_noco_angles() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
_get_old_ldaupot() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_para_jij() (aiida_kkr.workflows.jijs.kkr_jij_wc method)
_get_parent_calc() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_pot_and_shape() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_get_qdos_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_rbasis_atom_symbol() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_get_shapes_array() (aiida_kkr.calculations.kkr.KkrCalculation method)
_get_struc() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method)
_get_structure_inputs() (aiida_kkr.calculations.kkr.KkrCalculation method)
_getParametersEntry() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_has_ase_notebook() (in module aiida_kkr.tools.plot_kkr)
_has_struc() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method)
_identifyBlocks() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_in_notebook() (in module aiida_kkr.tools.plot_kkr)
_init_internal_params() (aiida_kkr.calculations.kkrimporter.KkrImporterCalculation method)
_init_ldau() (aiida_kkr.calculations.kkr.KkrCalculation method)
_initialize_kkrimp_params() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_is_KkrCalc() (aiida_kkr.calculations.voro.VoronoiCalculation method)
_is_KkrnanoCalc() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_kick_out_corestates_kkrhost() (aiida_kkr.calculations.kkr.KkrCalculation method)
_make_nonco_angles() (in module aiida_kkr.workflows.jijs)
_overwrite_parameters_from_input() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
_prepare_qdos_calc() (aiida_kkr.calculations.kkr.KkrCalculation method)
_process_DOS_file() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_read_table_block() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_set_ef_value_potential() (aiida_kkr.calculations.kkr.KkrCalculation method)
_set_nosoc() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_set_parent_remotedata() (aiida_kkr.calculations.kkr.KkrCalculation method)
_stringFromList() (aiida_kkr.parsers.kkrnano.KKRnanoParser method)
_update_params() (in module aiida_kkr.calculations.kkr)
_use_decimation() (aiida_kkr.calculations.kkr.KkrCalculation method)
_use_initial_noco_angles() (aiida_kkr.calculations.kkr.KkrCalculation method)
_use_lloyd() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_use_nonco_bfield() (aiida_kkr.calculations.kkr.KkrCalculation method)
_write_efermi_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_write_input_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_write_kkrflex_angle() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_write_kkrflex_rimpshift() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
_write_nonco_angles() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_write_potential_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_write_rbasis() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
_write_scoef_file() (aiida_kkr.calculations.kkr.KkrCalculation method)
_write_shapefun_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
A
adapt_emin() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
adapt_retrieve_tmatnew() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
add_jij_files() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
add_lmdos_files_to_retrieve() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
aiida_kkr.calculations.kkr
module
aiida_kkr.calculations.kkrimp
module
aiida_kkr.calculations.kkrimporter
module
aiida_kkr.calculations.kkrnano
module
aiida_kkr.calculations.voro
module
aiida_kkr.parsers.kkr
module
aiida_kkr.parsers.kkrimp
module
aiida_kkr.parsers.kkrimporter
module
aiida_kkr.parsers.kkrnano
module
aiida_kkr.parsers.voro
module
aiida_kkr.tools.common_workfunctions
module
aiida_kkr.tools.plot_kkr
module
aiida_kkr.tools.tools_kkrimp
module
aiida_kkr.workflows.bs
module
aiida_kkr.workflows.dos
module
aiida_kkr.workflows.eos
module
aiida_kkr.workflows.gf_writeout
module
aiida_kkr.workflows.jijs
module
aiida_kkr.workflows.kkr_imp
module
aiida_kkr.workflows.kkr_imp_sub
module
aiida_kkr.workflows.kkr_scf
module
aiida_kkr.workflows.voro_start
module
C
change_conv_para() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
check_2Dinput_consistency() (in module aiida_kkr.tools.common_workfunctions)
check_dos() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
check_input_params() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
check_voro_out() (aiida_kkr.workflows.eos.kkr_eos_wc method)
check_voronoi() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
classify_and_plot_node() (aiida_kkr.tools.plot_kkr.plot_kkr method)
collect_data_and_fit() (aiida_kkr.workflows.eos.kkr_eos_wc method)
condition() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
construct_startpot() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
convergence_on_track() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
create_or_update_ldaupot() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
create_scf_result_node() (in module aiida_kkr.workflows.kkr_scf)
create_scoef_array() (in module aiida_kkr.tools.tools_kkrimp)
D
define() (aiida_kkr.calculations.kkr.KkrCalculation class method)
(aiida_kkr.calculations.kkrimp.KkrimpCalculation class method)
(aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method)
(aiida_kkr.calculations.voro.VoronoiCalculation class method)
(aiida_kkr.workflows.bs.kkr_bs_wc class method)
(aiida_kkr.workflows.dos.kkr_dos_wc class method)
(aiida_kkr.workflows.eos.kkr_eos_wc class method)
(aiida_kkr.workflows.gf_writeout.kkr_flex_wc class method)
(aiida_kkr.workflows.jijs.kkr_jij_wc class method)
(aiida_kkr.workflows.kkr_imp.kkr_imp_wc class method)
(aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc class method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc class method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc class method)
do_iteration_check() (aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
dosplot() (aiida_kkr.tools.plot_kkr.plot_kkr method)
E
error_handler() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
(aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
extract_imp_pot_sfd() (in module aiida_kkr.workflows.kkr_imp_sub)
F
find_cluster_radius_alat() (aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
find_neighbors() (in module aiida_kkr.tools.tools_kkrimp)
find_parent_struc_from_voro_or_stwpd() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method)
find_parent_structure() (aiida_kkr.calculations.voro.VoronoiCalculation class method)
G
generate_inputcard_from_structure() (in module aiida_kkr.tools.common_workfunctions)
get_a0_from_node() (in module aiida_kkr.tools.plot_kkr)
get_BS() (aiida_kkr.workflows.bs.kkr_bs_wc method)
get_datetime_from_str() (in module aiida_kkr.tools.plot_kkr)
get_distance() (in module aiida_kkr.tools.tools_kkrimp)
get_dos() (aiida_kkr.workflows.dos.kkr_dos_wc method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
get_ef_from_parent() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
(in module aiida_kkr.tools.plot_kkr)
get_flex() (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method)
get_imp_info_from_parent() (in module aiida_kkr.tools.tools_kkrimp)
get_inputs_common() (in module aiida_kkr.tools.common_workfunctions)
get_inputs_kkr() (in module aiida_kkr.tools.common_workfunctions)
get_inputs_kkrimp() (in module aiida_kkr.tools.common_workfunctions)
get_inputs_kkrimporter() (in module aiida_kkr.tools.common_workfunctions)
get_inputs_voronoi() (in module aiida_kkr.tools.common_workfunctions)
get_ldaupot_from_retrieved() (aiida_kkr.calculations.kkrimp.KkrimpCalculation class method)
get_natyp() (in module aiida_kkr.tools.common_workfunctions)
get_node() (in module aiida_kkr.tools.plot_kkr)
get_old_ldaupot() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
get_parent_paranode() (in module aiida_kkr.tools.common_workfunctions)
get_primitive_structure() (in module aiida_kkr.workflows.eos)
get_qdos_data_from_node() (in module aiida_kkr.tools.plot_kkr)
get_qdos_filenames() (in module aiida_kkr.tools.plot_kkr)
get_remote_symlink() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
get_rms_kkrcalc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
get_rms_kkrcalc_from_remote() (in module aiida_kkr.tools.plot_kkr)
get_run_test_opts() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
get_site_symbols() (in module aiida_kkr.workflows.kkr_scf)
get_sorting_indices() (in module aiida_kkr.tools.plot_kkr)
get_structure_data() (in module aiida_kkr.tools.tools_kkrimp)
get_username() (in module aiida_kkr.tools.common_workfunctions)
get_wf_defaults() (aiida_kkr.workflows.bs.kkr_bs_wc class method)
(aiida_kkr.workflows.dos.kkr_dos_wc class method)
(aiida_kkr.workflows.eos.kkr_eos_wc class method)
(aiida_kkr.workflows.gf_writeout.kkr_flex_wc class method)
(aiida_kkr.workflows.jijs.kkr_jij_wc class method)
(aiida_kkr.workflows.kkr_imp.kkr_imp_wc class method)
(aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc class method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc class method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc class method)
group_nodes() (aiida_kkr.tools.plot_kkr.plot_kkr method)
H
has_starting_potential_input() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
I
init_ldau() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
initial_mag() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
initialize_params() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
inspect_kkr() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
inspect_kkrimp() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
K
kkr_bs_wc (class in aiida_kkr.workflows.bs)
kkr_dos_wc (class in aiida_kkr.workflows.dos)
kkr_eos_wc (class in aiida_kkr.workflows.eos)
kkr_flex_wc (class in aiida_kkr.workflows.gf_writeout)
kkr_imp_sub_wc (class in aiida_kkr.workflows.kkr_imp_sub)
kkr_imp_wc (class in aiida_kkr.workflows.kkr_imp)
kkr_jij_wc (class in aiida_kkr.workflows.jijs)
kkr_scf_wc (class in aiida_kkr.workflows.kkr_scf)
kkr_startpot_wc (class in aiida_kkr.workflows.voro_start)
KkrCalculation (class in aiida_kkr.calculations.kkr)
KkrimpCalculation (class in aiida_kkr.calculations.kkrimp)
KkrImporterCalculation (class in aiida_kkr.calculations.kkrimporter)
KkrImporterParser (class in aiida_kkr.parsers.kkrimporter)
KkrimpParser (class in aiida_kkr.parsers.kkrimp)
KKRnanoCalculation (class in aiida_kkr.calculations.kkrnano)
KKRnanoParser (class in aiida_kkr.parsers.kkrnano)
KkrParser (class in aiida_kkr.parsers.kkr)
M
make_kkrimp_rmsplot() (aiida_kkr.tools.plot_kkr.plot_kkr method)
make_scoef() (in module aiida_kkr.tools.tools_kkrimp)
modify_potential (class in aiida_kkr.tools.tools_kkrimp)
module
aiida_kkr.calculations.kkr
aiida_kkr.calculations.kkrimp
aiida_kkr.calculations.kkrimporter
aiida_kkr.calculations.kkrnano
aiida_kkr.calculations.voro
aiida_kkr.parsers.kkr
aiida_kkr.parsers.kkrimp
aiida_kkr.parsers.kkrimporter
aiida_kkr.parsers.kkrnano
aiida_kkr.parsers.voro
aiida_kkr.tools.common_workfunctions
aiida_kkr.tools.plot_kkr
aiida_kkr.tools.tools_kkrimp
aiida_kkr.workflows.bs
aiida_kkr.workflows.dos
aiida_kkr.workflows.eos
aiida_kkr.workflows.gf_writeout
aiida_kkr.workflows.jijs
aiida_kkr.workflows.kkr_imp
aiida_kkr.workflows.kkr_imp_sub
aiida_kkr.workflows.kkr_scf
aiida_kkr.workflows.voro_start
move_kkrflex_files() (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method)
N
neworder_potential() (aiida_kkr.tools.tools_kkrimp.modify_potential method)
P
parse() (aiida_kkr.parsers.kkr.KkrParser method)
(aiida_kkr.parsers.kkrimp.KkrimpParser method)
(aiida_kkr.parsers.kkrnano.KKRnanoParser method)
(aiida_kkr.parsers.voro.VoronoiParser method)
parse_BS_data() (in module aiida_kkr.workflows.bs)
plot_group() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_imp_cluster() (in module aiida_kkr.tools.plot_kkr)
plot_kkr (class in aiida_kkr.tools.plot_kkr)
plot_kkr_calc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkr_dos() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkr_eos() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkr_scf() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkr_single_node() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkr_startpot() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkrimp_calc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkrimp_dos_wc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkrimp_sub_wc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_kkrimp_wc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_struc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
plot_voro_calc() (aiida_kkr.tools.plot_kkr.plot_kkr method)
prepare_for_submission() (aiida_kkr.calculations.kkr.KkrCalculation method)
(aiida_kkr.calculations.kkrimp.KkrimpCalculation method)
(aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)
(aiida_kkr.calculations.voro.VoronoiCalculation method)
prepare_strucs() (aiida_kkr.workflows.eos.kkr_eos_wc method)
print_clean_inouts() (aiida_kkr.tools.plot_kkr.plot_kkr method)
R
rescale() (in module aiida_kkr.workflows.eos)
rescale_no_wf() (in module aiida_kkr.workflows.eos)
return_results() (aiida_kkr.workflows.bs.kkr_bs_wc method)
(aiida_kkr.workflows.dos.kkr_dos_wc method)
(aiida_kkr.workflows.eos.kkr_eos_wc method)
(aiida_kkr.workflows.gf_writeout.kkr_flex_wc method)
(aiida_kkr.workflows.jijs.kkr_jij_wc method)
(aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
(aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
rmsplot() (aiida_kkr.tools.plot_kkr.plot_kkr method)
rotate_onto_z() (in module aiida_kkr.tools.tools_kkrimp)
run_gf_writeout() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
run_kkr() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
run_kkr_steps() (aiida_kkr.workflows.eos.kkr_eos_wc method)
run_kkrimp() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
run_kkrimp_scf() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
run_voroaux() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
run_voronoi() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
run_vorostart() (aiida_kkr.workflows.eos.kkr_eos_wc method)
S
save_fig_to_file() (in module aiida_kkr.tools.plot_kkr)
select_reference() (in module aiida_kkr.tools.tools_kkrimp)
set_energy_params() (in module aiida_kkr.workflows.bs)
set_jij_params() (aiida_kkr.workflows.jijs.kkr_jij_wc method)
set_params_BS() (aiida_kkr.workflows.bs.kkr_bs_wc method)
set_params_dos() (aiida_kkr.workflows.dos.kkr_dos_wc method)
set_params_flex() (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method)
shapefun_from_scoef() (aiida_kkr.tools.tools_kkrimp.modify_potential method)
start() (aiida_kkr.workflows.bs.kkr_bs_wc method)
(aiida_kkr.workflows.dos.kkr_dos_wc method)
(aiida_kkr.workflows.eos.kkr_eos_wc method)
(aiida_kkr.workflows.gf_writeout.kkr_flex_wc method)
(aiida_kkr.workflows.jijs.kkr_jij_wc method)
(aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
(aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
(aiida_kkr.workflows.voro_start.kkr_startpot_wc method)
strucplot_ase_notebook() (in module aiida_kkr.tools.plot_kkr)
structure_from_params() (in module aiida_kkr.tools.common_workfunctions)
submit_Jij_calcs() (aiida_kkr.workflows.jijs.kkr_jij_wc method)
T
test_and_get_codenode() (in module aiida_kkr.tools.common_workfunctions)
U
update_kkr_params() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
update_kkrimp_params() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
update_params() (in module aiida_kkr.tools.common_workfunctions)
update_params_wf() (in module aiida_kkr.tools.common_workfunctions)
update_voro_input() (in module aiida_kkr.workflows.voro_start)
V
validate_input() (aiida_kkr.workflows.bs.kkr_bs_wc method)
(aiida_kkr.workflows.dos.kkr_dos_wc method)
(aiida_kkr.workflows.gf_writeout.kkr_flex_wc method)
(aiida_kkr.workflows.jijs.kkr_jij_wc method)
(aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)
(aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)
(aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)
vca_check() (in module aiida_kkr.tools.common_workfunctions)
VoronoiCalculation (class in aiida_kkr.calculations.voro)
VoronoiParser (class in aiida_kkr.parsers.voro)
W
write_scoef() (in module aiida_kkr.tools.tools_kkrimp)
write_scoef_full_imp_cls() (in module aiida_kkr.tools.tools_kkrimp)
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