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Index
Symbols
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B
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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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L
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M
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N
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O
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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
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X
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Z
Symbols
--api-key
masci_tools-fleur-schema-add command line option
masci_tools-fleur-schema-pull command line option
--atoms
masci_tools-plot-fleur-dos command line option
--backend
masci_tools-plot-fleur-bands command line option
masci_tools-plot-fleur-dos command line option
--branch
masci_tools-fleur-schema-add command line option
--contains
masci_tools-parse-all-attribs command line option
masci_tools-parse-attrib command line option
masci_tools-parse-number-nodes command line option
masci_tools-parse-parent-attribs command line option
masci_tools-parse-tag-exists command line option
masci_tools-parse-text command line option
--converter
masci_tools-convert-inpgen command line option
--from-git
masci_tools-fleur-schema-add command line option
--ignore-validation
masci_tools-parse-out-file command line option
--interstitial
masci_tools-plot-fleur-dos command line option
--l_resolved
masci_tools-plot-fleur-dos command line option
--name
masci_tools-parse-all-attribs command line option
masci_tools-parse-attrib command line option
masci_tools-parse-number-nodes command line option
masci_tools-parse-parent-attribs command line option
masci_tools-parse-tag-exists command line option
masci_tools-parse-text command line option
--no-show
masci_tools-inpxml-generate-conversion command line option
--not-contains
masci_tools-parse-all-attribs command line option
masci_tools-parse-attrib command line option
masci_tools-parse-number-nodes command line option
masci_tools-parse-parent-attribs command line option
masci_tools-parse-tag-exists command line option
masci_tools-parse-text command line option
--output-file
masci_tools-inpxml-convert command line option
--overwrite
masci_tools-fleur-schema-add command line option
masci_tools-inpxml-convert command line option
--recipe
masci_tools-plot-fleur-bands command line option
masci_tools-plot-fleur-dos command line option
--save
masci_tools-plot-fleur-bands command line option
masci_tools-plot-fleur-dos command line option
--show
masci_tools-inpxml-generate-conversion command line option
masci_tools-plot-fleur-bands command line option
masci_tools-plot-fleur-dos command line option
--subtags
masci_tools-parse-all-attribs command line option
--tag
masci_tools-parse-attrib command line option
--test-xml-file
masci_tools-fleur-schema-add command line option
masci_tools-fleur-schema-pull command line option
--text
masci_tools-parse-all-attribs command line option
--total
masci_tools-plot-fleur-dos command line option
--version
masci_tools command line option
--weight
masci_tools-plot-fleur-bands command line option
-c
masci_tools-convert-inpgen command line option
masci_tools-parse-all-attribs command line option
masci_tools-parse-attrib command line option
masci_tools-parse-number-nodes command line option
masci_tools-parse-parent-attribs command line option
masci_tools-parse-tag-exists command line option
masci_tools-parse-text command line option
-n
masci_tools-parse-all-attribs command line option
masci_tools-parse-attrib command line option
masci_tools-parse-number-nodes command line option
masci_tools-parse-parent-attribs command line option
masci_tools-parse-tag-exists command line option
masci_tools-parse-text command line option
-nc
masci_tools-parse-all-attribs command line option
masci_tools-parse-attrib command line option
masci_tools-parse-number-nodes command line option
masci_tools-parse-parent-attribs command line option
masci_tools-parse-tag-exists command line option
masci_tools-parse-text command line option
-o
masci_tools-inpxml-convert command line option
-r
masci_tools-plot-fleur-bands command line option
masci_tools-plot-fleur-dos command line option
-t
masci_tools-parse-attrib command line option
-v
masci_tools command line option
-w
masci_tools-plot-fleur-bands command line option
_
_EvalContext (class in masci_tools.io.fleur_xml)
_TVectorType (in module masci_tools.io.common_functions)
A
abs_to_rel() (in module masci_tools.io.common_functions)
abs_to_rel_f() (in module masci_tools.io.common_functions)
abs_to_rel_xpath() (in module masci_tools.util.xml.common_functions)
add_data_key() (masci_tools.vis.data.PlotData method)
add_filter() (masci_tools.util.xml.xpathbuilder.XPathBuilder method)
add_number_to_attrib() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
add_number_to_first_attrib() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
add_parameter() (masci_tools.vis.parameters.Plotter method)
add_partial_sums() (in module masci_tools.io.parsers.hdf5.transforms)
add_partial_sums_fixed() (in module masci_tools.io.parsers.hdf5.transforms)
add_tag() (in module masci_tools.util.xml.common_functions)
add_task_list() (masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
add_tooltips() (masci_tools.vis.bokeh_plotter.BokehPlotter method)
align_nmmpmat_to_sqa() (in module masci_tools.util.xml.xml_setters_nmmpmat)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
all_attributes() (masci_tools.io.fleur_xml._EvalContext method)
angles_to_vec() (in module masci_tools.io.common_functions)
append() (masci_tools.util.lockable_containers.LockableList method)
append_tag() (masci_tools.util.xml.xpathbuilder.XPathBuilder method)
apply() (masci_tools.vis.data.PlotData method)
apply_lambda() (in module masci_tools.io.parsers.hdf5.transforms)
apply_modifications() (masci_tools.io.fleurxmlmodifier.FleurXMLModifier class method)
args (masci_tools.io.fleurxmlmodifier.ModifierTask attribute)
(masci_tools.io.parsers.hdf5.reader.AttribTransformation attribute)
(masci_tools.io.parsers.hdf5.reader.Transformation attribute)
asymmetric_lorentz() (in module masci_tools.vis.plot_methods)
asymmetric_lorentz_gauss_conv() (in module masci_tools.vis.plot_methods)
asymmetric_lorentz_gauss_sum() (in module masci_tools.vis.plot_methods)
AtomDictProperties (class in masci_tools.io.fleur_inpgen)
atomDiff (masci_tools.tools.greensfunction.GreensfElement attribute)
AtomSiteProperties (class in masci_tools.io.common_functions)
atomType (masci_tools.tools.greensfunction.GreensfElement attribute)
atomTypep (masci_tools.tools.greensfunction.GreensfElement attribute)
attrib_exists() (in module masci_tools.util.schema_dict_util)
attrib_name (masci_tools.io.parsers.hdf5.reader.AttribTransformation attribute)
attrib_xpath() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDict method)
(masci_tools.io.parsers.fleur_schema.SchemaDict method)
AttribTransformation (class in masci_tools.io.parsers.hdf5.reader)
attribute() (masci_tools.io.fleur_xml._EvalContext method)
attribute_exists() (masci_tools.io.fleur_xml._EvalContext method)
attributes() (in module masci_tools.io.parsers.hdf5.transforms)
AttributeType (class in masci_tools.io.parsers.fleur_schema)
(class in masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
B
BANDDOS_FILE
masci_tools-plot-fleur-bands command line option
masci_tools-plot-fleur-dos command line option
bands() (in module masci_tools.vis.common)
bands_recipe_format() (in module masci_tools.io.parsers.hdf5.recipes)
barchart() (in module masci_tools.vis.plot_methods)
bokeh_bands() (in module masci_tools.vis.bokeh_plots)
bokeh_dos() (in module masci_tools.vis.bokeh_plots)
bokeh_line() (in module masci_tools.vis.bokeh_plots)
bokeh_multi_scatter() (in module masci_tools.vis.bokeh_plots)
bokeh_scatter() (in module masci_tools.vis.bokeh_plots)
bokeh_spectral_function() (in module masci_tools.vis.bokeh_plots)
bokeh_spinpol_bands() (in module masci_tools.vis.bokeh_plots)
bokeh_spinpol_dos() (in module masci_tools.vis.bokeh_plots)
BokehPlotter (class in masci_tools.vis.bokeh_plotter)
BRANCH
masci_tools-fleur-schema-pull command line option
C
calculate_expression() (in module masci_tools.util.fleur_calculate_expression)
calculate_expression_partial() (in module masci_tools.util.fleur_calculate_expression)
calculate_heisenberg_j0() (in module masci_tools.tools.greensf_calculations)
calculate_heisenberg_jij() (in module masci_tools.tools.greensf_calculations)
calculate_heisenberg_tensor() (in module masci_tools.tools.greensf_calculations)
calculate_hybridization() (in module masci_tools.tools.greensf_calculations)
calculate_norm() (in module masci_tools.io.parsers.hdf5.transforms)
calculate_total_magnetic_moment() (in module masci_tools.io.parsers.fleur.outxml_conversions)
calculate_walltime() (in module masci_tools.io.parsers.fleur.outxml_conversions)
camel_to_snake() (in module masci_tools.io.common_functions)
CaseInsensitiveDict (class in masci_tools.util.case_insensitive_dict)
CaseInsensitiveFrozenSet (class in masci_tools.util.case_insensitive_dict)
CDF_voigt_profile() (in module masci_tools.vis.plot_methods)
CFCalculation (class in masci_tools.tools.cf_calculation)
CFCoefficient (class in masci_tools.tools.cf_calculation)
change_XC_val_kkrimp() (masci_tools.io.kkr_params.kkrparams method)
change_zoom() (in module masci_tools.vis.kkr_plot_shapefun)
changes() (masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
check_complex_xpath() (in module masci_tools.util.xml.common_functions)
check_error_category() (in module masci_tools.io.parsers.kkrparser_functions)
check_voronoi_output() (in module masci_tools.io.parsers.voroparser_functions)
clear() (masci_tools.util.lockable_containers.LockableList method)
clear_cache() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDict class method)
(masci_tools.io.parsers.fleur_schema.SchemaDict class method)
clear_xml() (in module masci_tools.util.xml.common_functions)
clone_species() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
colormesh_plot() (in module masci_tools.vis.plot_methods)
colors (class in masci_tools.tools.greensfunction)
ColumnDataSourceWrapper (class in masci_tools.vis.data)
construct_corelevel_spectrum() (in module masci_tools.vis.plot_methods)
contains_tag() (in module masci_tools.util.xml.common_functions)
contour (masci_tools.tools.greensfunction.GreensfElement attribute)
convention (masci_tools.tools.cf_calculation.CFCoefficient attribute)
conversion_function() (in module masci_tools.io.parsers.fleur)
convert_fleur_config_to_econfig() (in module masci_tools.util.econfig)
convert_fleur_electronconfig() (in module masci_tools.util.xml.converters)
convert_fleur_lo() (in module masci_tools.util.xml.converters)
convert_forces() (in module masci_tools.io.parsers.fleur.outxml_conversions)
convert_from_fortran_bool() (in module masci_tools.util.xml.converters)
convert_from_fortran_complex() (in module masci_tools.util.xml.converters)
convert_from_xml() (in module masci_tools.util.xml.converters)
convert_from_xml_explicit() (in module masci_tools.util.xml.converters)
convert_from_xml_single_values() (in module masci_tools.util.xml.converters)
convert_htr_to_ev() (in module masci_tools.io.parsers.fleur.outxml_conversions)
convert_ldahia_definitions() (in module masci_tools.io.parsers.fleur.outxml_conversions)
convert_ldau_definitions() (in module masci_tools.io.parsers.fleur.outxml_conversions)
convert_relax_info() (in module masci_tools.io.parsers.fleur.outxml_conversions)
convert_str_version_number() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
(in module masci_tools.util.xml.converters)
convert_to_complete_list() (masci_tools.vis.parameters.Plotter static method)
convert_to_complex_array() (in module masci_tools.io.parsers.hdf5.transforms)
convert_to_fortran() (in module masci_tools.io.common_functions)
convert_to_fortran_bool() (in module masci_tools.util.xml.converters)
convert_to_fortran_string() (in module masci_tools.io.common_functions)
convert_to_pystd() (in module masci_tools.io.common_functions)
convert_to_str() (in module masci_tools.io.parsers.hdf5.transforms)
convert_to_xml() (in module masci_tools.util.xml.converters)
convert_to_xml_explicit() (in module masci_tools.util.xml.converters)
convert_to_xml_single_values() (in module masci_tools.util.xml.converters)
copy_data() (masci_tools.vis.data.PlotData method)
create_tag() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
cumulative_sum() (in module masci_tools.io.parsers.hdf5.transforms)
D
data_keys (masci_tools.vis.data.PlotData property)
decompose_jij_tensor() (in module masci_tools.tools.greensf_calculations)
default() (masci_tools.vis.common.PlotBackend static method)
default_histogram() (in module masci_tools.vis.plot_methods)
delete_att() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
delete_tag() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
denNorm (masci_tools.tools.cf_calculation.CFCalculation property)
dict_of_lists_to_list_of_dicts() (masci_tools.vis.parameters.Plotter static method)
DictHandler (class in masci_tools.util.logging_util)
difference() (masci_tools.util.case_insensitive_dict.CaseInsensitiveFrozenSet method)
dispersionplot() (in module masci_tools.vis.kkr_plot_bandstruc_qdos)
distinct_datasets() (masci_tools.vis.data.PlotData method)
doniach_sunjic() (in module masci_tools.vis.plot_methods)
dos() (in module masci_tools.vis.common)
dos_recipe_format() (in module masci_tools.io.parsers.hdf5.recipes)
dosplot() (in module masci_tools.vis.kkr_plot_dos)
draw_lines() (masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
draw_straight_lines() (masci_tools.vis.bokeh_plotter.BokehPlotter method)
E
emit() (masci_tools.util.logging_util.DictHandler method)
energy_dependence() (masci_tools.tools.greensfunction.GreensFunction method)
energy_dependence_full_matrix() (masci_tools.tools.greensfunction.GreensFunction method)
ensure_plotter_consistency() (in module masci_tools.vis.parameters)
ensure_relaxation_xinclude() (in module masci_tools.util.schema_dict_util)
eval_simple_xpath() (in module masci_tools.util.schema_dict_util)
eval_single_string_attribute() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
eval_xpath() (in module masci_tools.util.xml.common_functions)
eval_xpath_create() (in module masci_tools.util.xml.xml_setters_xpaths)
evaluate_attribute() (in module masci_tools.util.schema_dict_util)
evaluate_bracket() (in module masci_tools.util.fleur_calculate_expression)
evaluate_parent_tag() (in module masci_tools.util.schema_dict_util)
evaluate_single_value_tag() (in module masci_tools.util.schema_dict_util)
evaluate_tag() (in module masci_tools.util.schema_dict_util)
evaluate_text() (in module masci_tools.util.schema_dict_util)
exclude_points() (in module masci_tools.vis.helpers)
expand_parameters() (masci_tools.vis.parameters.Plotter method)
extend() (masci_tools.util.lockable_containers.LockableList method)
extract_attribute_types() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
extract_text_types() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
F
F (in module masci_tools.io.parsers.fleur_schema.schema_dict)
(in module masci_tools.io.parsers.hdf5.transforms)
(in module masci_tools.vis.parameters)
fac() (in module masci_tools.io.common_functions)
FileLike (in module masci_tools.util.typing)
fill_keywords_to_inputfile() (masci_tools.io.kkr_params.kkrparams method)
filter_out_empty_dict_entries() (in module masci_tools.io.common_functions)
FilterType (in module masci_tools.util.xml.xpathbuilder)
find() (masci_tools.io.fleur_xml._EvalContext method)
find_symmetry_relation() (in module masci_tools.io.common_functions)
flatten_array() (in module masci_tools.io.parsers.hdf5.transforms)
FleurXMLContext() (in module masci_tools.io.fleur_xml)
FleurXMLModifier (class in masci_tools.io.fleurxmlmodifier)
format_nmmpmat() (in module masci_tools.io.io_nmmpmat)
freeze() (masci_tools.util.lockable_containers.LockableDict method)
(masci_tools.util.lockable_containers.LockableList method)
from_arrays() (masci_tools.tools.cf_calculation.CFCalculation class method)
from_str() (masci_tools.vis.common.PlotBackend static method)
FROM_VERSION
masci_tools-inpxml-generate-conversion command line option
masci_tools-inpxml-show-conversion command line option
fromFile() (masci_tools.tools.greensfunction.GreensFunction class method)
fromList() (masci_tools.io.fleurxmlmodifier.FleurXMLModifier class method)
fromPath() (masci_tools.io.parsers.fleur_schema.InputSchemaDict class method)
(masci_tools.io.parsers.fleur_schema.OutputSchemaDict class method)
(masci_tools.io.parsers.fleur_schema.schema_dict.InputSchemaDict class method)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict class method)
fromVersion() (masci_tools.io.parsers.fleur_schema.InputSchemaDict class method)
(masci_tools.io.parsers.fleur_schema.OutputSchemaDict class method)
(masci_tools.io.parsers.fleur_schema.schema_dict.InputSchemaDict class method)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict class method)
FSqdos2D() (in module masci_tools.vis.kkr_plot_FS_qdos)
G
gauss_one() (in module masci_tools.vis.plot_methods)
gaussian() (in module masci_tools.vis.plot_methods)
get_all_child_datasets() (in module masci_tools.io.parsers.hdf5.transforms)
get_all_mandatory() (masci_tools.io.kkr_params.kkrparams method)
get_attribute() (in module masci_tools.io.parsers.hdf5.transforms)
get_avail_actions() (masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
get_basic_types() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_bokeh_help() (in module masci_tools.vis.bokeh_plots)
get_cell() (in module masci_tools.util.xml.xml_getters)
get_charge_density() (masci_tools.tools.cf_calculation.CFCalculation method)
get_coefficient() (masci_tools.tools.greensfunction.GreensFunction method)
get_coefficients() (masci_tools.tools.cf_calculation.CFCalculation method)
get_constants() (in module masci_tools.io.fleur_xml)
get_coreconfig() (in module masci_tools.util.econfig)
get_corestates_from_potential() (in module masci_tools.io.common_functions)
get_description() (masci_tools.io.kkr_params.kkrparams method)
(masci_tools.vis.parameters.Plotter method)
get_dict() (masci_tools.io.kkr_params.kkrparams method)
(masci_tools.vis.parameters.Plotter method)
get_econfig() (in module masci_tools.util.econfig)
get_ef_from_potfile() (in module masci_tools.io.common_functions)
get_first_element() (in module masci_tools.io.parsers.hdf5.transforms)
get_first_number() (in module masci_tools.util.fleur_calculate_expression)
get_first_string() (in module masci_tools.util.fleur_calculate_expression)
get_fleur_bands_specific_weights() (in module masci_tools.io.parsers.hdf5.recipes)
get_fleur_modes() (in module masci_tools.util.xml.xml_getters)
get_function_result() (masci_tools.vis.data.PlotData method)
get_help() (in module masci_tools.vis.common)
get_highest_core_state() (in module masci_tools.io.common_functions)
get_inpgen_comments() (in module masci_tools.util.xml.common_functions)
get_input_tag() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_iteration_tags() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_keys() (masci_tools.vis.data.PlotData method)
get_KKRcalc_parameter_defaults() (masci_tools.io.kkr_params.kkrparams class method)
get_kmeshinfo() (in module masci_tools.io.parsers.kkrparser_functions)
get_kpoints_data() (in module masci_tools.util.xml.xml_getters)
get_kpointsdata() (in module masci_tools.util.xml.xml_getters)
get_kpointsdata_max4() (in module masci_tools.util.xml.xml_getters)
get_lattice_vectors() (in module masci_tools.io.parsers.kkrparser_functions)
get_mask() (masci_tools.vis.data.PlotData method)
get_missing_keys() (masci_tools.io.kkr_params.kkrparams method)
get_mpl_help() (in module masci_tools.vis.plot_methods)
get_multiple_kwargs() (masci_tools.vis.parameters.Plotter method)
get_name() (in module masci_tools.io.parsers.hdf5.transforms)
get_natom() (in module masci_tools.io.parsers.kkrparser_functions)
get_nkpts() (in module masci_tools.util.xml.xml_getters)
get_nkpts_max4() (in module masci_tools.util.xml.xml_getters)
get_noco_rms() (in module masci_tools.io.parsers.kkrparser_functions)
get_nspin() (in module masci_tools.io.parsers.kkrparser_functions)
get_number_of_nodes() (in module masci_tools.util.schema_dict_util)
get_omittable_tags() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_orbmom() (in module masci_tools.io.parsers.kkrparser_functions)
get_other_attribs() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_outfile_txt() (in module masci_tools.io.common_functions)
get_parameter_data() (in module masci_tools.util.xml.xml_getters)
get_parameterdata() (in module masci_tools.util.xml.xml_getters)
get_pauli_matrix() (in module masci_tools.io.common_functions)
get_plotter() (in module masci_tools.vis.common)
get_potentials() (masci_tools.tools.cf_calculation.CFCalculation method)
get_predicate() (masci_tools.util.xml.xpathbuilder.XPathBuilder method)
get_relaxation_information() (in module masci_tools.util.xml.xml_getters)
get_relaxation_information_pre029() (in module masci_tools.util.xml.xml_getters)
get_rms() (in module masci_tools.io.parsers.kkrparser_functions)
get_root_tag() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_set_values() (masci_tools.io.kkr_params.kkrparams method)
get_shape() (in module masci_tools.io.parsers.hdf5.transforms)
get_single_particle_energies() (in module masci_tools.io.parsers.kkrparser_functions)
get_special_kpoint_ticks() (in module masci_tools.vis.helpers)
get_special_kpoints() (in module masci_tools.util.xml.xml_getters)
get_special_kpoints_max4() (in module masci_tools.util.xml.xml_getters)
get_spin_rotation() (in module masci_tools.io.common_functions)
get_spinmom_per_atom() (in module masci_tools.io.parsers.kkrparser_functions)
get_structure_data() (in module masci_tools.util.xml.xml_getters)
get_structuredata() (in module masci_tools.util.xml.xml_getters)
get_symmetry_information() (in module masci_tools.util.xml.xml_getters)
get_tag_info() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_tag_paths() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_text_tags() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_type() (masci_tools.io.kkr_params.kkrparams method)
get_unique_attribs() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_unique_path_attribs() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
get_unlocked() (masci_tools.util.lockable_containers.LockableDict method)
(masci_tools.util.lockable_containers.LockableList method)
get_valence_min() (in module masci_tools.io.parsers.voroparser_functions)
get_value() (masci_tools.io.kkr_params.kkrparams method)
get_values() (masci_tools.vis.data.PlotData method)
get_wigner_matrix() (in module masci_tools.io.common_functions)
get_xml_attribute() (in module masci_tools.util.xml.common_functions)
GreensfElement (class in masci_tools.tools.greensfunction)
GreensFunction (class in masci_tools.tools.greensfunction)
group_data() (masci_tools.vis.data.PlotData method)
group_index (masci_tools.util.xml.xml_setters_nmmpmat.LDAUElement attribute)
H
h5dump() (in module masci_tools.io.hdf5_util)
hdf5_transformation() (in module masci_tools.io.parsers.hdf5.transforms)
HDF5LimitedTransformation (class in masci_tools.io.parsers.hdf5.reader)
HDF5Reader (class in masci_tools.io.parsers.hdf5.reader)
HDF5Recipe (class in masci_tools.io.parsers.hdf5.reader)
HDF5Transformation (class in masci_tools.io.parsers.hdf5.reader)
HDF5TransformationError
hdfList() (in module masci_tools.io.hdf5_util)
heisenberg_reciprocal() (in module masci_tools.tools.greensf_calculations)
histogram() (in module masci_tools.vis.plot_methods)
hyp2f2() (in module masci_tools.vis.plot_methods)
I
IncompatibleSchemaVersions
,
[1]
index_dataset() (in module masci_tools.io.parsers.hdf5.transforms)
inp_version (masci_tools.io.parsers.fleur_schema.InputSchemaDict property)
(masci_tools.io.parsers.fleur_schema.OutputSchemaDict property)
(masci_tools.io.parsers.fleur_schema.schema_dict.InputSchemaDict property)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict property)
INPUT_FILE
masci_tools-convert-inpgen command line option
InputSchemaDict (class in masci_tools.io.parsers.fleur_schema)
(class in masci_tools.io.parsers.fleur_schema.schema_dict)
inpxml_parser() (in module masci_tools.io.parsers.fleur)
insert() (masci_tools.util.lockable_containers.LockableList method)
interpolate() (masci_tools.tools.cf_calculation.CFCalculation method)
interpolate_dos() (in module masci_tools.io.common_functions)
intersection() (masci_tools.util.case_insensitive_dict.CaseInsensitiveFrozenSet method)
intersite_shell_indices() (in module masci_tools.tools.greensfunction)
intersite_shells() (in module masci_tools.tools.greensfunction)
intersite_shells_from_file() (in module masci_tools.tools.greensfunction)
is_general() (masci_tools.vis.parameters.Plotter method)
is_mandatory() (masci_tools.io.kkr_params.kkrparams method)
is_sequence() (in module masci_tools.io.common_functions)
is_valid_tag() (in module masci_tools.util.xml.common_functions)
isdisjoint() (masci_tools.util.case_insensitive_dict.CaseInsensitiveFrozenSet method)
issubset() (masci_tools.util.case_insensitive_dict.CaseInsensitiveFrozenSet method)
issuperset() (masci_tools.util.case_insensitive_dict.CaseInsensitiveFrozenSet method)
items() (masci_tools.io.kkr_params.kkrparams method)
(masci_tools.vis.data.PlotData method)
iter() (masci_tools.io.fleur_xml._EvalContext method)
iteration_attrib_xpath() (masci_tools.io.parsers.fleur_schema.OutputSchemaDict method)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict method)
iteration_tag_xpath() (masci_tools.io.parsers.fleur_schema.OutputSchemaDict method)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict method)
K
keys() (masci_tools.vis.data.PlotData method)
kind (masci_tools.io.common_functions.AtomSiteProperties attribute)
Kinds (class in masci_tools.io.fleur_inpgen)
KkrimpParserFunctions (class in masci_tools.io.parsers.kkrimp_parser_functions)
kkrparams (class in masci_tools.io.kkr_params)
kresolved (masci_tools.tools.greensfunction.GreensfElement attribute)
kwargs (masci_tools.io.fleurxmlmodifier.ModifierTask attribute)
(masci_tools.io.parsers.hdf5.reader.AttribTransformation attribute)
(masci_tools.io.parsers.hdf5.reader.Transformation attribute)
L
l (masci_tools.tools.cf_calculation.CFCoefficient attribute)
(masci_tools.tools.greensfunction.GreensfElement attribute)
LDAUElement (class in masci_tools.util.xml.xml_setters_nmmpmat)
line() (in module masci_tools.vis.common)
list_available_versions() (in module masci_tools.io.parsers.fleur_schema)
(in module masci_tools.io.parsers.fleur_schema.schema_dict)
listElements() (in module masci_tools.tools.greensfunction)
load_bokeh_defaults() (in module masci_tools.vis.bokeh_plots)
load_data() (in module masci_tools.vis.kkr_plot_bandstruc_qdos)
load_defaults() (in module masci_tools.vis.common)
(masci_tools.vis.parameters.Plotter method)
load_inpxml() (in module masci_tools.io.fleur_xml)
load_mpl_defaults() (in module masci_tools.vis.plot_methods)
load_outxml() (in module masci_tools.io.fleur_xml)
load_outxml_and_check_for_broken_xml() (in module masci_tools.io.fleur_xml)
LockableDict (class in masci_tools.util.lockable_containers)
LockableList (class in masci_tools.util.lockable_containers)
LockContainer() (in module masci_tools.util.lockable_containers)
locked (masci_tools.util.lockable_containers.LockableDict property)
(masci_tools.util.lockable_containers.LockableList property)
lorentzian() (in module masci_tools.vis.plot_methods)
lorentzian_one() (in module masci_tools.vis.plot_methods)
lp (masci_tools.tools.greensfunction.GreensfElement attribute)
M
m (masci_tools.tools.cf_calculation.CFCoefficient attribute)
magnetic_moment (masci_tools.io.common_functions.AtomSiteProperties attribute)
masci_tools command line option
--version
-v
masci_tools-convert-inpgen command line option
--converter
-c
INPUT_FILE
OUTPUT_FILE
masci_tools-fleur-schema-add command line option
--api-key
--branch
--from-git
--overwrite
--test-xml-file
SCHEMA_FILE
masci_tools-fleur-schema-pull command line option
--api-key
--test-xml-file
BRANCH
masci_tools-fleur-schema-validate-input command line option
XML_FILE
masci_tools-fleur-schema-validate-output command line option
XML_FILE
masci_tools-inpxml-convert command line option
--output-file
--overwrite
-o
TO_VERSION
XML_FILE
masci_tools-inpxml-generate-conversion command line option
--no-show
--show
FROM_VERSION
TO_VERSION
masci_tools-inpxml-show-conversion command line option
FROM_VERSION
TO_VERSION
masci_tools-parse-all-attribs command line option
--contains
--name
--not-contains
--subtags
--text
-c
-n
-nc
XML_FILE
masci_tools-parse-attrib command line option
--contains
--name
--not-contains
--tag
-c
-n
-nc
-t
XML_FILE
masci_tools-parse-cell command line option
XML_FILE
masci_tools-parse-constants command line option
XML_FILE
masci_tools-parse-fleur-modes command line option
XML_FILE
masci_tools-parse-inp-file command line option
XML_FILE
masci_tools-parse-kpoints command line option
XML_FILE
masci_tools-parse-nkpts command line option
XML_FILE
masci_tools-parse-number-nodes command line option
--contains
--name
--not-contains
-c
-n
-nc
XML_FILE
masci_tools-parse-out-file command line option
--ignore-validation
XML_FILE
masci_tools-parse-parameters command line option
XML_FILE
masci_tools-parse-parent-attribs command line option
--contains
--name
--not-contains
-c
-n
-nc
XML_FILE
masci_tools-parse-relaxation command line option
XML_FILE
masci_tools-parse-structure command line option
XML_FILE
masci_tools-parse-symmetry command line option
XML_FILE
masci_tools-parse-tag-exists command line option
--contains
--name
--not-contains
-c
-n
-nc
XML_FILE
masci_tools-parse-text command line option
--contains
--name
--not-contains
-c
-n
-nc
XML_FILE
masci_tools-plot-fleur-bands command line option
--backend
--recipe
--save
--show
--weight
-r
-w
BANDDOS_FILE
masci_tools-plot-fleur-dos command line option
--atoms
--backend
--interstitial
--l_resolved
--recipe
--save
--show
--total
-r
BANDDOS_FILE
masci_tools.io.common_functions
module
masci_tools.io.fleur_inpgen
module
masci_tools.io.fleur_xml
module
masci_tools.io.fleurxmlmodifier
module
masci_tools.io.hdf5_util
module
masci_tools.io.io_nmmpmat
module
masci_tools.io.kkr_params
module
masci_tools.io.kkr_read_shapefun_info
module
masci_tools.io.parsers.fleur
module
masci_tools.io.parsers.fleur.default_parse_tasks
module
masci_tools.io.parsers.fleur.outxml_conversions
module
masci_tools.io.parsers.fleur.task_migrations
module
masci_tools.io.parsers.fleur_schema
module
masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions
module
masci_tools.io.parsers.fleur_schema.schema_dict
module
masci_tools.io.parsers.hdf5.reader
module
masci_tools.io.parsers.hdf5.recipes
module
masci_tools.io.parsers.hdf5.transforms
module
masci_tools.io.parsers.kkrimp_parser_functions
module
masci_tools.io.parsers.kkrparser_functions
module
masci_tools.io.parsers.voroparser_functions
module
masci_tools.tools.cf_calculation
module
masci_tools.tools.greensf_calculations
module
masci_tools.tools.greensfunction
module
masci_tools.util.case_insensitive_dict
module
masci_tools.util.constants
module
masci_tools.util.econfig
module
masci_tools.util.fleur_calculate_expression
module
masci_tools.util.lockable_containers
module
masci_tools.util.logging_util
module
masci_tools.util.schema_dict_util
module
masci_tools.util.typing
module
masci_tools.util.xml
module
masci_tools.util.xml.common_functions
module
masci_tools.util.xml.converters
module
masci_tools.util.xml.xml_getters
module
masci_tools.util.xml.xml_setters_basic
module
masci_tools.util.xml.xml_setters_names
module
masci_tools.util.xml.xml_setters_nmmpmat
module
masci_tools.util.xml.xml_setters_xpaths
module
masci_tools.util.xml.xpathbuilder
module
masci_tools.vis.bokeh_plots
module
masci_tools.vis.bokeh_plotter
module
masci_tools.vis.common
module
masci_tools.vis.data
module
masci_tools.vis.fleur
module
masci_tools.vis.helpers
module
masci_tools.vis.kkr_plot_bandstruc_qdos
module
masci_tools.vis.kkr_plot_dos
module
masci_tools.vis.kkr_plot_FS_qdos
module
masci_tools.vis.kkr_plot_shapefun
module
masci_tools.vis.matplotlib_plotter
module
masci_tools.vis.parameters
module
masci_tools.vis.plot_methods
module
mask_data() (masci_tools.vis.data.PlotData method)
MatplotlibPlotter (class in masci_tools.vis.matplotlib_plotter)
matrix_plot() (in module masci_tools.vis.bokeh_plots)
max() (masci_tools.vis.data.PlotData method)
merge_subgroup_datasets() (in module masci_tools.io.parsers.hdf5.transforms)
migrate_033_to_031() (in module masci_tools.io.parsers.fleur.task_migrations)
migrate_034_to_033() (in module masci_tools.io.parsers.fleur.task_migrations)
min() (masci_tools.vis.data.PlotData method)
MissingConstant
ModifierTask (class in masci_tools.io.fleurxmlmodifier)
modify_xmlfile() (masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
module
masci_tools.io.common_functions
masci_tools.io.fleur_inpgen
masci_tools.io.fleur_xml
masci_tools.io.fleurxmlmodifier
masci_tools.io.hdf5_util
masci_tools.io.io_nmmpmat
masci_tools.io.kkr_params
masci_tools.io.kkr_read_shapefun_info
masci_tools.io.parsers.fleur
masci_tools.io.parsers.fleur.default_parse_tasks
masci_tools.io.parsers.fleur.outxml_conversions
masci_tools.io.parsers.fleur.task_migrations
masci_tools.io.parsers.fleur_schema
masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions
masci_tools.io.parsers.fleur_schema.schema_dict
masci_tools.io.parsers.hdf5.reader
masci_tools.io.parsers.hdf5.recipes
masci_tools.io.parsers.hdf5.transforms
masci_tools.io.parsers.kkrimp_parser_functions
masci_tools.io.parsers.kkrparser_functions
masci_tools.io.parsers.voroparser_functions
masci_tools.tools.cf_calculation
masci_tools.tools.greensf_calculations
masci_tools.tools.greensfunction
masci_tools.util.case_insensitive_dict
masci_tools.util.constants
masci_tools.util.econfig
masci_tools.util.fleur_calculate_expression
masci_tools.util.lockable_containers
masci_tools.util.logging_util
masci_tools.util.schema_dict_util
masci_tools.util.typing
masci_tools.util.xml
masci_tools.util.xml.common_functions
masci_tools.util.xml.converters
masci_tools.util.xml.xml_getters
masci_tools.util.xml.xml_setters_basic
masci_tools.util.xml.xml_setters_names
masci_tools.util.xml.xml_setters_nmmpmat
masci_tools.util.xml.xml_setters_xpaths
masci_tools.util.xml.xpathbuilder
masci_tools.vis.bokeh_plots
masci_tools.vis.bokeh_plotter
masci_tools.vis.common
masci_tools.vis.data
masci_tools.vis.fleur
masci_tools.vis.helpers
masci_tools.vis.kkr_plot_bandstruc_qdos
masci_tools.vis.kkr_plot_dos
masci_tools.vis.kkr_plot_FS_qdos
masci_tools.vis.kkr_plot_shapefun
masci_tools.vis.matplotlib_plotter
masci_tools.vis.parameters
masci_tools.vis.plot_methods
moment() (masci_tools.tools.greensfunction.GreensFunction method)
move_to_memory() (in module masci_tools.io.parsers.hdf5.transforms)
mpl_single_line_or_area() (in module masci_tools.vis.helpers)
multi_scatter_plot() (in module masci_tools.vis.plot_methods)
multiaxis_scatterplot() (in module masci_tools.vis.plot_methods)
multiple_scatterplots() (in module masci_tools.vis.plot_methods)
multiplot_moved() (in module masci_tools.vis.plot_methods)
multiply_array() (in module masci_tools.io.parsers.hdf5.transforms)
multiply_by_attribute() (in module masci_tools.io.parsers.hdf5.transforms)
multiply_scalar() (in module masci_tools.io.parsers.hdf5.transforms)
N
name (masci_tools.io.fleurxmlmodifier.ModifierTask attribute)
(masci_tools.io.parsers.hdf5.reader.AttribTransformation attribute)
(masci_tools.io.parsers.hdf5.reader.Transformation attribute)
nested() (masci_tools.io.fleur_xml._EvalContext method)
NestedPlotParameters() (in module masci_tools.vis.parameters)
nLO (masci_tools.tools.greensfunction.GreensfElement attribute)
nonzero_coefficients_lm (masci_tools.tools.cf_calculation.CFCalculation property)
NoPathFound
,
[1]
normalize_list_or_array() (in module masci_tools.vis.data)
normalize_xmllike() (in module masci_tools.util.xml.common_functions)
NoUniquePathFound
,
[1]
nspins (masci_tools.tools.greensfunction.GreensFunction property)
num_plots (masci_tools.vis.parameters.Plotter property)
number_nodes() (masci_tools.io.fleur_xml._EvalContext method)
O
occupation() (masci_tools.tools.greensfunction.GreensFunction method)
onsite (masci_tools.tools.greensfunction.GreensfElement attribute)
open_general() (in module masci_tools.io.common_functions)
orbital (masci_tools.util.xml.xml_setters_nmmpmat.LDAUElement attribute)
out_version (masci_tools.io.parsers.fleur_schema.OutputSchemaDict property)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict property)
OutParserLogAdapter (class in masci_tools.util.logging_util)
OUTPUT_FILE
masci_tools-convert-inpgen command line option
OutputSchemaDict (class in masci_tools.io.parsers.fleur_schema)
(class in masci_tools.io.parsers.fleur_schema.schema_dict)
outxml_parser() (in module masci_tools.io.parsers.fleur)
P
parent_attributes() (masci_tools.io.fleur_xml._EvalContext method)
parse_array_float() (in module masci_tools.io.parsers.kkrparser_functions)
parse_kkr_outputfile() (in module masci_tools.io.parsers.kkrparser_functions)
parse_kkrimp_outputfile() (masci_tools.io.parsers.kkrimp_parser_functions.KkrimpParserFunctions method)
parse_voronoi_output() (in module masci_tools.io.parsers.voroparser_functions)
path (masci_tools.util.xml.xpathbuilder.XPathBuilder property)
PDF (class in masci_tools.vis.plot_methods)
performIntegration() (masci_tools.tools.cf_calculation.CFCalculation method)
periodic_elements() (in module masci_tools.io.parsers.hdf5.transforms)
periodic_table_plot() (in module masci_tools.vis.bokeh_plots)
plot_bands() (in module masci_tools.vis.plot_methods)
plot_colortable() (in module masci_tools.vis.plot_methods)
plot_convergence() (in module masci_tools.vis.bokeh_plots)
(in module masci_tools.vis.plot_methods)
plot_convergence_results() (in module masci_tools.vis.bokeh_plots)
(in module masci_tools.vis.plot_methods)
plot_convergence_results_m() (in module masci_tools.vis.bokeh_plots)
(in module masci_tools.vis.plot_methods)
plot_convex_hull2d() (in module masci_tools.vis.plot_methods)
plot_corelevel_spectra() (in module masci_tools.vis.plot_methods)
plot_corelevels() (in module masci_tools.vis.plot_methods)
plot_crystal_field_calculation() (in module masci_tools.tools.cf_calculation)
plot_crystal_field_potential() (in module masci_tools.tools.cf_calculation)
plot_dos() (in module masci_tools.vis.plot_methods)
plot_fleur_bands() (in module masci_tools.vis.fleur)
plot_fleur_bands_characterize() (in module masci_tools.vis.fleur)
plot_fleur_dos() (in module masci_tools.vis.fleur)
plot_kwargs() (masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
(masci_tools.vis.parameters.Plotter method)
plot_lattice_constant() (in module masci_tools.vis.bokeh_plots)
(in module masci_tools.vis.plot_methods)
plot_one_element_corelv() (in module masci_tools.vis.plot_methods)
plot_relaxation_results() (in module masci_tools.vis.plot_methods)
plot_residuen() (in module masci_tools.vis.plot_methods)
plot_shapefun() (in module masci_tools.vis.kkr_plot_shapefun)
plot_spectral_function() (in module masci_tools.vis.plot_methods)
plot_spinpol_bands() (in module masci_tools.vis.plot_methods)
plot_spinpol_dos() (in module masci_tools.vis.plot_methods)
PlotBackend (class in masci_tools.vis.common)
PlotData (class in masci_tools.vis.data)
PlotDataIterator (class in masci_tools.vis.data)
Plotter (class in masci_tools.vis.parameters)
pop() (masci_tools.util.lockable_containers.LockableList method)
position (masci_tools.io.common_functions.AtomSiteProperties attribute)
prepare_figure() (masci_tools.vis.bokeh_plotter.BokehPlotter method)
prepare_plot() (masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
printElements() (in module masci_tools.tools.greensfunction)
process() (masci_tools.util.logging_util.OutParserLogAdapter method)
process_condition() (masci_tools.util.xml.xpathbuilder.XPathBuilder method)
process_data_arguments() (in module masci_tools.vis.data)
process_xpath_argument() (in module masci_tools.util.xml.common_functions)
pseudo_voigt_profile() (in module masci_tools.vis.plot_methods)
R
read() (masci_tools.io.parsers.hdf5.reader.HDF5Reader method)
read_charge_density() (masci_tools.tools.cf_calculation.CFCalculation method)
read_constants() (in module masci_tools.util.schema_dict_util)
read_groups() (in module masci_tools.io.hdf5_util)
read_hdf_simple() (in module masci_tools.io.hdf5_util)
read_inpgen_file() (in module masci_tools.io.fleur_inpgen)
read_keywords_from_inputcard() (masci_tools.io.kkr_params.kkrparams method)
read_nmmpmat_block() (in module masci_tools.io.io_nmmpmat)
read_potential() (masci_tools.tools.cf_calculation.CFCalculation method)
read_shapefun() (in module masci_tools.io.kkr_read_shapefun_info)
readCDN() (masci_tools.tools.cf_calculation.CFCalculation method)
readd_inpgen_comments() (in module masci_tools.util.xml.common_functions)
readPot() (masci_tools.tools.cf_calculation.CFCalculation method)
register() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDictDispatch method)
register_migration() (in module masci_tools.io.parsers.fleur)
rek_econ() (in module masci_tools.util.econfig)
rel_to_abs() (in module masci_tools.io.common_functions)
rel_to_abs_f() (in module masci_tools.io.common_functions)
relative_attrib_xpath() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDict method)
(masci_tools.io.parsers.fleur_schema.SchemaDict method)
relative_iteration_attrib_xpath() (masci_tools.io.parsers.fleur_schema.OutputSchemaDict method)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict method)
relative_iteration_tag_xpath() (masci_tools.io.parsers.fleur_schema.OutputSchemaDict method)
(masci_tools.io.parsers.fleur_schema.schema_dict.OutputSchemaDict method)
relative_tag_xpath() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDict method)
(masci_tools.io.parsers.fleur_schema.SchemaDict method)
remove() (masci_tools.util.lockable_containers.LockableList method)
remove_added_parameters() (masci_tools.vis.parameters.Plotter method)
remove_value() (masci_tools.io.kkr_params.kkrparams method)
repeat_array() (in module masci_tools.io.parsers.hdf5.transforms)
repeat_array_by_attribute() (in module masci_tools.io.parsers.hdf5.transforms)
replace_tag() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
reset_bokeh_plot_defaults() (in module masci_tools.vis.bokeh_plots)
reset_defaults() (in module masci_tools.vis.common)
(masci_tools.vis.parameters.Plotter method)
reset_mpl_plot_defaults() (in module masci_tools.vis.plot_methods)
reset_parameters() (masci_tools.vis.parameters.Plotter method)
reverse() (masci_tools.util.lockable_containers.LockableList method)
reverse_xinclude() (in module masci_tools.util.schema_dict_util)
(in module masci_tools.util.xml.common_functions)
rotate_nmmpmat() (in module masci_tools.util.xml.xml_setters_nmmpmat)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
rotate_nmmpmat_block() (in module masci_tools.io.io_nmmpmat)
S
S (in module masci_tools.util.case_insensitive_dict)
(in module masci_tools.util.lockable_containers)
save_bokeh_defaults() (in module masci_tools.vis.bokeh_plots)
save_defaults() (in module masci_tools.vis.common)
(masci_tools.vis.parameters.Plotter method)
save_mpl_defaults() (in module masci_tools.vis.plot_methods)
save_plot() (masci_tools.vis.bokeh_plotter.BokehPlotter method)
(masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
scatter() (in module masci_tools.vis.common)
schema_dict_version_dispatch() (in module masci_tools.io.parsers.fleur_schema)
(in module masci_tools.io.parsers.fleur_schema.schema_dict)
SCHEMA_FILE
masci_tools-fleur-schema-add command line option
SchemaDict (class in masci_tools.io.parsers.fleur_schema)
(class in masci_tools.io.parsers.fleur_schema.schema_dict)
SchemaDictDispatch (class in masci_tools.io.parsers.fleur_schema.schema_dict)
select_element_indices() (in module masci_tools.tools.greensfunction)
select_elements() (in module masci_tools.tools.greensfunction)
select_elements_from_file() (in module masci_tools.tools.greensfunction)
serialize_xml_objects() (in module masci_tools.util.xml.common_functions)
set_atomgroup() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_atomgroup_label() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_attrib_value() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_bokeh_plot_defaults() (in module masci_tools.vis.bokeh_plots)
set_color_palette_by_num_plots() (masci_tools.vis.bokeh_plotter.BokehPlotter method)
set_complex_tag() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_default_backend() (in module masci_tools.vis.common)
set_defaults() (in module masci_tools.vis.common)
(masci_tools.vis.parameters.Plotter method)
set_first_attrib_value() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_first_text() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_inpchanges() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_kpath() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_kpath_max4() (in module masci_tools.util.xml.xml_setters_names)
set_kpointlist() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_kpointlist_max4() (in module masci_tools.util.xml.xml_setters_names)
set_kpointmesh() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_kpointpath() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_legend() (masci_tools.vis.bokeh_plotter.BokehPlotter method)
set_limits() (masci_tools.vis.bokeh_plotter.BokehPlotter method)
(masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
set_mpl_plot_defaults() (in module masci_tools.vis.plot_methods)
set_multiple_values() (masci_tools.io.kkr_params.kkrparams method)
set_nkpts() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_nkpts_max4() (in module masci_tools.util.xml.xml_setters_names)
set_nmmpmat() (in module masci_tools.util.xml.xml_setters_nmmpmat)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_parameters() (masci_tools.vis.parameters.Plotter method)
set_scale() (masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
set_simple_tag() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_single_default() (masci_tools.vis.parameters.Plotter method)
set_species() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_species_label() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_text() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
set_value() (masci_tools.io.kkr_params.kkrparams method)
set_xcfunctional() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
shift_by_attribute() (in module masci_tools.io.parsers.hdf5.transforms)
shift_data() (masci_tools.vis.data.PlotData method)
shift_dataset() (in module masci_tools.io.parsers.hdf5.transforms)
shift_value() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
shift_value_species_label() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
show_bokeh_plot_defaults() (in module masci_tools.vis.bokeh_plots)
show_colorbar() (masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
show_defaults() (in module masci_tools.vis.common)
show_legend() (masci_tools.vis.matplotlib_plotter.MatplotlibPlotter method)
show_mpl_plot_defaults() (in module masci_tools.vis.plot_methods)
simple_xpath() (masci_tools.io.fleur_xml._EvalContext method)
single_plot (masci_tools.vis.parameters.Plotter property)
single_scatterplot() (in module masci_tools.vis.plot_methods)
single_value() (masci_tools.io.fleur_xml._EvalContext method)
skipHeader() (in module masci_tools.io.common_functions)
slice_dataset() (in module masci_tools.io.parsers.hdf5.transforms)
sort_data() (masci_tools.vis.data.PlotData method)
species (masci_tools.util.xml.xml_setters_nmmpmat.LDAUElement attribute)
sphavg (masci_tools.tools.greensfunction.GreensfElement attribute)
spin_down (masci_tools.tools.cf_calculation.CFCoefficient attribute)
spin_polarized (masci_tools.tools.cf_calculation.CFCalculation property)
spin_up (masci_tools.tools.cf_calculation.CFCoefficient attribute)
spinpol_bands() (in module masci_tools.vis.common)
spinpol_dos() (in module masci_tools.vis.common)
split_array() (in module masci_tools.io.parsers.hdf5.transforms)
split_kkr_options() (masci_tools.io.kkr_params.kkrparams static method)
split_off_attrib() (in module masci_tools.util.xml.common_functions)
split_off_tag() (in module masci_tools.util.xml.common_functions)
stack_datasets() (in module masci_tools.io.parsers.hdf5.transforms)
stevens_prefactor() (masci_tools.tools.cf_calculation.CFCalculation method)
strip_off_tag() (masci_tools.util.xml.xpathbuilder.XPathBuilder method)
sum_over_dict_entries() (in module masci_tools.io.parsers.hdf5.transforms)
sum_weights_over_atoms() (in module masci_tools.vis.fleur)
surface_plot() (in module masci_tools.vis.plot_methods)
switch_kpointset() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
switch_kpointset_max4() (in module masci_tools.util.xml.xml_setters_names)
switch_species() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
switch_species_label() (in module masci_tools.util.xml.xml_setters_names)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
symbol (masci_tools.io.common_functions.AtomSiteProperties attribute)
symmetric_difference() (masci_tools.util.case_insensitive_dict.CaseInsensitiveFrozenSet method)
T
T (in module masci_tools.util.lockable_containers)
(in module masci_tools.util.xml.common_functions)
T_co (in module masci_tools.util.case_insensitive_dict)
(in module masci_tools.util.lockable_containers)
tag_exists() (in module masci_tools.util.schema_dict_util)
(masci_tools.io.fleur_xml._EvalContext method)
tag_info() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDict method)
(masci_tools.io.parsers.fleur_schema.SchemaDict method)
tag_xpath() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDict method)
(masci_tools.io.parsers.fleur_schema.SchemaDict method)
TagInfo (class in masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
task_list (masci_tools.io.fleurxmlmodifier.FleurXMLModifier property)
text() (masci_tools.io.fleur_xml._EvalContext method)
tile_array() (in module masci_tools.io.parsers.hdf5.transforms)
tile_array_by_attribute() (in module masci_tools.io.parsers.hdf5.transforms)
to_global_frame() (masci_tools.tools.greensfunction.GreensFunction method)
to_local_frame() (masci_tools.tools.greensfunction.GreensFunction method)
to_m_index() (masci_tools.tools.greensfunction.GreensFunction static method)
to_spin_indices() (masci_tools.tools.greensfunction.GreensFunction static method)
TO_VERSION
masci_tools-inpxml-convert command line option
masci_tools-inpxml-generate-conversion command line option
masci_tools-inpxml-show-conversion command line option
trace_energy_dependence() (masci_tools.tools.greensfunction.GreensFunction method)
Transformation (class in masci_tools.io.parsers.hdf5.reader)
truncate_colormap() (masci_tools.vis.matplotlib_plotter.MatplotlibPlotter static method)
TXPathLike (in module masci_tools.util.typing)
type_order() (in module masci_tools.io.parsers.fleur_schema.fleur_schema_parser_functions)
U
undo() (masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
union() (masci_tools.util.case_insensitive_dict.CaseInsensitiveFrozenSet method)
unit (masci_tools.tools.cf_calculation.CFCoefficient attribute)
update_to_kkrimp() (masci_tools.io.kkr_params.kkrparams method)
update_to_voronoi() (masci_tools.io.kkr_params.kkrparams method)
use_BdG() (in module masci_tools.io.parsers.kkrparser_functions)
use_newsosol() (in module masci_tools.io.parsers.kkrparser_functions)
V
validate() (masci_tools.io.parsers.fleur_schema.schema_dict.SchemaDict method)
(masci_tools.io.parsers.fleur_schema.SchemaDict method)
(masci_tools.tools.cf_calculation.CFCalculation method)
validate_nmmpmat() (in module masci_tools.util.xml.xml_setters_nmmpmat)
validate_xml() (in module masci_tools.util.xml.common_functions)
values() (masci_tools.vis.data.PlotData method)
vec_to_angles() (in module masci_tools.io.common_functions)
voigt_profile() (in module masci_tools.vis.plot_methods)
W
waterfall_plot() (in module masci_tools.vis.plot_methods)
write_inpgen_file() (in module masci_tools.io.fleur_inpgen)
write_nmmpmat() (in module masci_tools.io.io_nmmpmat)
write_nmmpmat_from_orbitals() (in module masci_tools.io.io_nmmpmat)
write_nmmpmat_from_states() (in module masci_tools.io.io_nmmpmat)
X
xml_add_number_to_attrib() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_add_number_to_first_attrib() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_create_tag() (in module masci_tools.util.xml.xml_setters_basic)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
xml_create_tag_schema_dict() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_delete_att() (in module masci_tools.util.xml.xml_setters_basic)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
xml_delete_tag() (in module masci_tools.util.xml.xml_setters_basic)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
XML_FILE
masci_tools-fleur-schema-validate-input command line option
masci_tools-fleur-schema-validate-output command line option
masci_tools-inpxml-convert command line option
masci_tools-parse-all-attribs command line option
masci_tools-parse-attrib command line option
masci_tools-parse-cell command line option
masci_tools-parse-constants command line option
masci_tools-parse-fleur-modes command line option
masci_tools-parse-inp-file command line option
masci_tools-parse-kpoints command line option
masci_tools-parse-nkpts command line option
masci_tools-parse-number-nodes command line option
masci_tools-parse-out-file command line option
masci_tools-parse-parameters command line option
masci_tools-parse-parent-attribs command line option
masci_tools-parse-relaxation command line option
masci_tools-parse-structure command line option
masci_tools-parse-symmetry command line option
masci_tools-parse-tag-exists command line option
masci_tools-parse-text command line option
xml_replace_tag() (in module masci_tools.util.xml.xml_setters_basic)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
xml_set_attrib_value() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_set_attrib_value_no_create() (in module masci_tools.util.xml.xml_setters_basic)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
xml_set_complex_tag() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_set_first_attrib_value() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_set_first_text() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_set_simple_tag() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_set_text() (in module masci_tools.util.xml.xml_setters_xpaths)
xml_set_text_no_create() (in module masci_tools.util.xml.xml_setters_basic)
(masci_tools.io.fleurxmlmodifier.FleurXMLModifier method)
XMLFileLike (in module masci_tools.util.typing)
XMLLike (in module masci_tools.util.typing)
XPathBuilder (class in masci_tools.util.xml.xpathbuilder)
XPathLike (in module masci_tools.util.typing)
Z
zoom_in() (in module masci_tools.vis.kkr_plot_shapefun)
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0.4.8
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v0.4.6
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