プログラム(tkProg)の入手
インストール
目的別メニュー
[External applications].select
Button1.External applications
Button2.External applications
Button4.External applications
Button5.External applications
Button10.External applications
setup.py
Button11.External applications
check libs
Button13.External applications
Button19.External applications
Button20.External applications
Button21.External applications
$(start)
$(start_cmd_C)
$(start_cmd_K)
join_path
check_exist
load_menu
save_config
[Crystal].select
Button1.Crystal
[XRD].select
Button3.XRD
Button2.XRD
Button4.XRD
Button7.XRD
Button5.XRD
Button1.XRD
[Semiconductor Basics].select
Button1
Button5
Button8
Button9
Button11
Button12
[Weighted_mobility].select
Button2
Button14
Button15
Button17
[Hall effect (mu-T fit)].select
Button16
Button4
Button7
[Hall effect (N-T fit)].select
Button6
Button18
Button20
[Diode].select
Button10
Button13
usage()
updatevars()
cal_Fhkl()
cal_Fhkl_single()
exec_Fhkl()
anom()
asf()
inf()
main()
Fhkl.py --help
XRD_diffraction_angles.py --help
xrd_fit.py --help
CIF_correlation()
check_overwrap()
collect_data()
convolution()
correlation()
fit()
initialize()
max_none()
min_none()
normalize()
normalize_none()
plot_all()
plot_input()
plot_one()
plot_one2()
read_all_files()
read_file()
update_vars()
Gaussian(x, x0, whalf)
xrd_pymatgen.py --help
Gaussian()
infile
XRD_GUI.py --help
GenericGraphApp
MplCanvas
check_dependencies()
handle_exception()
crystal_XRD.py
crystal_XRD.py --help
convert.py --help
ConverterRegistry
ConverterSpec
build_converter_kwargs()
build_output_path()
convert_file()
get_latest_mtime()
matches_target()
normalize_ext()
parse_args()
parse_target_patterns()
path_exists_for_mode()
safe_import_registry()
should_convert()
should_ignore_file()
walk_and_convert()
wrap_docx_to_png()
wrap_image_to_dir()
wrap_ipynb_json_to_md()
wrap_ipynb_json_to_pdf()
wrap_md_with_images()
wrap_pandoc()
wrap_pdf2md()
wrap_simple()
pptx2md_with_image.py --help
call_gemini()
call_openai()
convert_pdf_to_images()
extract_content_to_markdown()
find_ini_path()
get_slide_title()
load_slide_texts()
omml_to_latex()
pptx_to_pdf()
read_ini()
search_file()
split_latex_blocks()
terminate()
bin2base64.py --help
convert2md.py --help
convert()
convert_to_md()
replace_path()
save()
docx2img.py --help
convert_word_to_pdf()
docx2md.py --help
get_formatted_cell_text()
handle_paragraph()
handle_table()
is_inline_math()
iter_runs_and_omath_in_order()
paragraph_contains_math()
parse_omml_element()
process_runs_to_markdown()
save_image_from_run()
docx2pdf.py --help
docx_to_pdf()
get_slide_title(slide)
_safe_text_replace_math_unicode(text)
_find_first(element, candidates)
_detect_nary_op_char(element)
omml_to_latex(element)
split_latex_blocks(s)
extract_content_to_markdown(input_pptx, output_md, image_dir, include_xml=False)
pptx2md2.py --help
pptx2pdf.py --help
programs2single_md.py --help
create_markdown_from_files()
find_output_filename()
txt2pdf.py --help
find_font_path()
txt_to_pdf()
xlsx2img.py --help
convert_excel_to_pdf()
xlsx2pdf.py
xlsx2pdf.py --help
xlsx_to_pdf()
ai_ocr2md.py --help
call_ai_ocr()
get_image_from_clipboard()
OCR_image.py --help
ocr_from_image()
OCR_pdf.py --help
ocr_from_pdf()
EF_T_DOS.py --help
CalEF()
DOS()
DOSfe()
DOSfh()
FindBandEdges()
NAm()
NDp()
Ne()
Nh()
exec_EF()
exec_T()
fe()
fh()
getarg()
getfloatarg()
getintarg()
integrate()
pfloat()
pint()
read_csv()
rieman()
savecsv()
mu_fit.py --help
build_full_params()
cov_to_corr()
eigen_sorted_sym()
fit_mask()
get_inv_mu_components()
load_hall_data()
load_params()
numerical_jacobian()
param_covariance()
prediction_band_log10_mu()
propose_fix_candidates()
residuals_log10()
save_params()
solve_llsq()
summarize_eigenvectors()
visualize_fit()
visualize_weights()
mu_T_Fit2.py --help
cal_mu()
fitting()
init()
plot_muT_decomposed()
plot_muT_weight()
sim()
mu_TN_Fit.py --help
AT0()
AT32()
Aop()
Aop1()
VB()
cal_mu_from_TN()
cal_mu_from_params()
cal_mulist()
fit_mu_T()
fit_mu_TN()
fit_parameters()
pk2params()
N_T_Fit_semi_FEA.py --help
calS2()
calS2RH()
callback()
callbackRH()
choose_parameters()
diff1()
fit_RH()
plot()
print_parameters()
recover_parameters()
sigint_handler()
sim
fit
Ne_T_fit.py --help
F_half()
Params
calc_at_T()
deltaQ()
estimate_param_errors()
m2Nc()
m2Nv()
objective()
pack_free_params()
parse_fix_list()
prediction_band_log10_Ne()
read_data()
replace_ext()
run_fit()
run_read()
run_sim()
sanitize_args_for_fit()
solve_Ef()
unpack_params()
optimize_flex_CV.py --help
T_distrib.py --help
Region
air_properties_simple()
bottom_surface_flux_downward()
build_internal_regions()
build_parser()
build_regions_delta()
compute_piecewise_profile()
compute_schematic_positions()
horizontal_plate_h_nat()
plot_profiles_conv_rad()
plot_profiles_delta()
print_report_conv_rad()
print_report_delta()
solve_conv_rad()
top_surface_flux_downward()
weighted_mobility.py --help
exec_X()
exec_check()
exec_single()
modify_path()
validate_data()
Seebeck2.py --help
Hall()
T()
basic()
calF()
calL()
calS2_S()
calS2_sigma()
callback_S()
callback_sigma()
construct_lists()
diff1_S()
diff1_sigma()
parameter_list()
properties()
read_parameters()
save_parameterfile()
save_parameters()
set_parameters()
Seebeck_scan.py --help
Fj()
Nc_3D()
default_scan_settings()
electron_density_from_xi()
make_scan_values()
make_title()
parse_r_list()
resolve_xi()
save_csv()
seebeck_from_xi()
x_label()
xi_from_electron_density()
Seebeck_ZT.py --help
equivalent_l0_from_tau_pref()
lorenz_from_xi_transport()
m0
mobility_from_sigma_n()
save_results_to_excel()
seebeck_from_xi_transport()
sigma_from_xi_tau_pref()
tau_at_energy()
tau_pref_from_mu_ref()
transport_I0()
transport_I1()
transport_I2()
transport_prefactor_sigma()
S2L.py --help
Fr()
Lorenz()
S_comparison()
cal_EF_from_S_bisection()
cal_Ne()
cal_ke()
S2m.py --help
schottky.py --help
calculate_params()
calculate_schottky_current()
pnjunction.py --help
calculate_diode_current()
calculate_material_params()
pvfit_simple.py --help
estimate_errors()
get_initial_params()
get_jacobian()
load_param_csv()
model()
plot_iv()
run_fit_mode()
save_param_csv()
solve_root_poly()
tkApplication
check_file_type()
is_print
inf
tkfilter
print_data()
plot_data()
save_data()
raise_error
app.terminate()
test_tkfilter.py
--mode
action
add_docstring.py --help
read_args()
add_notes_pptx_com.py --help
insert_notes_com()
add_notes_pptx.py --help
add_subtitles_with_transparency()
clean_text()
get_notes_text()
parse_toml_style()
replace_placeholders_on_slide()
replace_placeholders_with_file()
add_notes_pptx_lib.py --help
add_notes_as_subtitles()
add_notes_voice_pptx.py --help
add_notes_to_pptx_com()
generate_audio_files_tktts()
link_audio_autoplay()
parse_narration_file()
convert_ocr.py --help
ImageItem
availability_report()
build_markdown()
call_genai_ocr()
collect_images()
command_exists_any()
convert_office_to_pdf()
default_output_path()
ensure_clipboard_image()
eprint()
init_genai_environment()
load_genai_prompt()
probe_genai_backend()
read_simple_ini()
render_pdf_to_images()
slugify_filename()
tesseract_ocr_image()
which()
debug_sphinx_build.py --help
DummyModule
DummyObject
install_mock_modules()
load_module_from_file()
make_module_name()
parse_mock_arg()
print_error_summary()
record_error()
should_skip()
explain_program5.py --help
get_program_type()
get_from_ai.py --help
call_ai()
get_gpu_inf.py --help
get_paper_inf5.py --help
append_xlsx()
extract_text_from_pdf()
get_inf()
get_metadata_from_google()
get_metadata_from_openai()
get_metadata_from_openai5()
rename_file()
guess_speaker.py --help
print_speakers()
save_text_to_file()
save_with_speakers()
text_with_speakers()
images2md_tags.py --help
make_thumbnail()
list_gemini_models.py --help
get_api_key()
list_models()
list_openai_models.py --help
make_sphinx_files.py --help
check_updated()
make_api_rst()
make_download_rst()
make_examples_md()
make_index_rst()
make_index_template()
make_init_py()
relative_from_source()
run_step()
make_textbook5.py --help
build_messages()
call_ai_api()
run_ai_processing()
save_messages_log()
md2html.py --help
build_html()
derive_title()
speak.py --help
tktts_aquestalkplayer.py --help
get_available_voices()
get_available_voices_info()
list_available_voices()
speak()
speak_dialogue()
tktts.py --help
apply_replacements()
create_temp_dir()
get_speaker_dict()
get_tts()
load_text()
normalize_speaker()
parse_kv_string()
tkTTS
tktts_openai.py --help
tktts_pyttsx3.py --help
tktts_voicevox.py --help
resolve_speaker_id()
tktts_winrt.py --help
transcribe_simple.py --help
check_gpu()
transcribe_audio()
translate5_GUI.py
translate5_GUI.py --help
App
CopyableErrorDialog
translate5.py
translate5.py --help
check_multibyte_str()
check_translation()
execute()
get_filetype()
html_to_markdown()
load_prompt_config_from_ini()
n_leading_chars()
pdf_to_docx()
process_template()
revise_with_google()
revise_with_openai4()
revise_with_openai5()
to_translate()
translate()
translate_docx()
translate_html()
translate_pptx()
translate_text()
translate_with_deepl()
update_variables()
binparser.py --help
get_data()
load_bin_file()
search_data()
compare_dir_files.py --help
compare_directories()
pandoc.py --help
convert_md()
convert_with_pandoc()
correct_html()
correct_markdown_pandoc_error()
extract_yaml_front_matter()
find_pandoc()
find_template()
is_valid_yaml()
make_pandoc_template()
read_text_with_chardet()
run_command()
read_BRUKER_raw.py --help
read_bin_file()
renumber_slides.py --help
replace.py --help
detect_encoding()
generate_output_path()
load_replace_dict()
save_SS_window.py --help
focus_and_capture()
get_window_list()
save_clipboard.py
save_clipboard.py --help
FORMATETC
IDataObject
STGMEDIUM
get_clipboard_image_fixed()
get_clipboard_text()
print_rst_snippets_for_image()
print_rst_snippets_for_text()
to_audio.py --help
convert_to_audio()
カテゴリー別APIリファレンス
Launcher.py --help
button_clicked()
button_clicked2()
copy_config()
copy_tkvars()
create_frame()
create_menu()
create_toolbar()
create_window()
initialize_launcher_menus()
input_path_button_click()
listbox_dbl_clicked()
listbox_selected()
set_rbutton_captions()
set_tbutton_captions()
tkLauncherApp
MP_Ewald.py --help
EWALD()
analyze_symmetry.py
analyze_symmetry.py --help
center_positions()
choose_point_group()
load_structure_json()
analyze_symmetry_k.py --help
bz_draw.py
bz_draw.py --help
SceneManager
alpha_fade()
build_conventional_basis()
bz_and_kpath_from_seekpath_cached()
cell_polygons()
color_checker()
color_distance()
color_hash()
get_cell_faces_and_neighbors()
order_polygon_vertices_on_plane()
plot_interactive_apply()
plot_once()
pretty_label()
primitive_from_centering()
reciprocal_points_from_basis()
read_cfgfile(cfgfile)
cfg2cif()
cfg2cif.py --help
read_cfgfile()
cif.py --help
cif_inf_pymatgen.py
cif_inf_pymatgen.py --help
print_inf()
print_matrix()
cif_read.py
cif_read.py --help
convert_cell.py --help
centering_to_prim_T()
change_basis_preserving_geometry()
detect_setting_and_centering()
dump_sites()
hex_to_rhombo_T()
parse_conversion_matrix()
parse_number()
report_structure()
rhombo_to_hex_T()
site_effective_occupancy_and_mass_amu()
structure_effective_counts()
crystal_MP_Evjen.py
crystal_MP_Evjen.py --help
crystal_MP_Ewald.py
crystal_MP_Ewald.py --help
crystal_MP_simple.py
crystal_MP_simple.py --help
draw_box()
draw_unitcell()
crystal_convert_cell.py
crystal_convert_cell.py --help
get_conversion_matrix()
get_crystal()
crystal_distance.py
crystal_distance.py --help
crystal_draw_cell.py --help
unit(v: numpy.ndarray) -> numpy.ndarray
angle_deg(v: numpy.ndarray) -> float
angle_between_deg(v1: numpy.ndarray, v2: numpy.ndarray) -> float
is_parallel(v1: numpy.ndarray, v2: numpy.ndarray, tol: float = 1e-9) -> bool
classify_real_diagonalizable(S: numpy.ndarray)
sort_eigensystem(vals: numpy.ndarray, vecs: numpy.ndarray)
plot_vectors(ax, basis_vectors, image_vectors, basis_labels, image_labels, title)
diagonalize2d.py --help
angle_between_deg()
angle_deg()
classify_real_diagonalizable()
is_parallel()
plot_vectors()
sort_eigensystem()
unit()
draw_2D_BZs.py
draw_2D_BZs.py --help
draw_custom_colorbar()
plot_brillouin_zones()
draw_band_fs.py --help
build_energy_grid_for_fs()
build_g_vecs()
build_k_path()
compute_dos()
determine_energy_range()
dim_from_type()
ef_from_dos()
effective_mass_1d()
find_kf_crossings_1d()
get_band_energies_at_k_dim()
nband_of_model()
plot_1d_fermi_points()
plot_2d_fermi_surface()
plot_3d_fermi_surface()
plot_band()
plot_band_with_path()
reduce_to_first_bz()
refine_root_bisection()
sample_energies_in_bz()
tb_energy()
draw_bravais_lattice.py
draw_bravais_lattice.py --help
Arrow3D
draw_unit_cell_with_lattice()
draw_vector()
lattice_vectors()
set_equal_aspect()
draw_rhombohedral_cells.py
draw_rhombohedral_cells.py --help
draw_unit_cell()
draw_unit_cell.py --help
draw_unit_cell_plot()
lattice_vectors(a, b, c, alpha, beta, gamma)
set_equal_aspect(ax, points)
draw_cell(ax, va, vb, vc, origin, linewidth=0.5)
draw_supercell_plot(a, b, c, alpha, beta, gamma, nx=3, ny=3, nz=3, elev=5.90, azim=-67.55, draw_lattice_vectors=False, font_size=24)
draw_unit_cells.py --help
draw_cell()
draw_supercell_plot()
find_point_group.py --help
align_score()
apply_rigid_transform()
center_of_mass()
guess_point_group()
inertia_align_matrix()
label_c2v()
label_cnv()
label_dn()
label_o()
label_oh()
label_t()
label_td()
label_th()
mirror_normal()
pretty_matrix()
rot_axis_angle()
write_xyz()
get_cif.py --help
get_structure()
save_structures()
analyze_independent_sites()
close_frac()
close_mod1()
expand_site_by_spacegroup()
find_site_indices_for_group()
frac_dist()
get_lattice_dof_from_crystal_system()
get_symmetry_signature()
infer_value_based_constraints()
is_fixed_value()
match_coords_to_indices()
perturb_equivalent_group_coordinate()
print_coords()
same_symmetry_signature()
unique_frac_coords()
wrap01()
interatomic_distance.py --help
kpath_pymatgen.py --help
kpath_seekpath.py --help
lattice_plane.py
lattice_plane.py --help
compute_frac_polygon()
init_frac_cell()
point_group.py
point_group.py --help
classify_symop_pg()
display_pg_info()
expand_direction()
orthogonalize()
plot_pg_projection()
stereo_project()
unique_dirs()
search_cif_db_tkcif.py
search_cif_db_tkcif.py --help
build_index()
composition_info_from_structure()
composition_to_sorted_json()
create_schema()
get_existing_columns()
guess_db_name()
guess_material_id()
make_subset_condition_for_contains()
normalize_formula()
search_by_formula()
show_info()
upsert_record()
symmetrize_pymatgen.py --help
to_str(v)
vector_to_str(v)
matrix_to_str(m)
symmetrize_tklib.py --help
tkcrystalbase
tkcrystalbase.py
tkcrystalbase.py --help
angle()
cal_lattice_vectors()
cal_metrics()
cal_reciprocal_lattice_parameters()
cal_reciprocal_lattice_vectors()
cal_volume()
configure_axis_structure()
distance()
distance2()
fractional_to_cartesian()
reduce01()
round01()
round_parameter()
tkpointgroup.py --help
build_Cn()
build_Cnh()
build_Cnv()
build_Dn()
build_Dnd()
build_Dnh()
build_O()
build_Oh()
build_Sn()
build_T()
build_Td()
build_Th()
build_group()
character_table()
class_aggregation()
classify_label()
classify_op_for_table()
decompose_irreps()
dedup_points()
det_from_label()
diagonal_plane()
elements_from_generators()
gamma_3N_characters()
gamma_rot_characters()
gamma_trans_characters()
generators_for()
get_all_operations()
get_generators()
group_ops()
group_order()
hm_to_schoenflies()
inversion()
label_elements()
mat_key()
mirror()
normalize_symbol()
orbit_for_point()
point_key()
polar_trace_from_label()
pretty_irreps()
reduce_to_classes()
rot()
schoenflies_to_hm()
snap_matrix()
supported_symbols()
unique_closure()
unique_orbit_points()
vertical_plane()
vib_irreps.py
vib_irreps.py --help
load_coords_from_xyz()
xyz2cif.py
xyz2cif.py --help
read_xyzfile()
xyz2cif()
plot_plane()
zone_axes.py --help
class_analyzer.py
class_analyzer.py --help
get_members()
print_variables()
make_mini_tklib.py --help
ImportRef
build_mini_pkg()
copy_selected_files()
default_pkg_root_from_env_or_fallback()
ensure_parent_init_files()
extract_imports()
find_pkg_root_upward()
is_within()
iter_py_files_under()
module_to_candidate_paths_under_root()
norm()
rel_under_root()
resolve_from_import_targets()
resolve_import_ref_to_files()
write_dot_graph()
write_unused_report()
FileInfo
RunResult
LogHit
snapshot_files(workdir, ignore_patterns)
diff_snapshots(before, after)
run_command(command, workdir, shell, timeout_sec, encoding)
scan_log_files(workdir, files, log_exts, encoding, error_regex, warning_regex, ignore_regex, max_read_bytes, max_hits_per_file)
scan_text_for_hits(relpath, text, error_regex, warning_regex, ignore_regex, max_hits_per_file)
make_report(workdir, before, after, created, modified, deleted, run_result, log_hits, args)
run_pandoc(report_md, report_html, pandoc_cmd, toc, standalone, encoding)
make_run_report.py --help
miniC.py --help
AST
AddAssign
Assign
BinOp
Block
Boolean
Break
BreakLoop
Continue
ContinueLoop
Delete
DictLiteral
Exit
For
FuncCall
FuncDef
If
Inc
IndexAccess
Interpreter
ListLiteral
Null
Number
Parser
Print
Return
ReturnValue
String
Token
UnaryOp
Var
print_ast()
tokenize()
iniedit.py --help
SimpleTomlParser
TomlEditor
ToolTip
parse_multiline_ini()
write_ini()
iniview.py --help
IniViewer
EffectiveMass.py
EffectiveMass.py --help
analyze_2layer_Hall_excel.py --help
analyze_two_layer_row()
analyze_workbook()
density_from_rh_sheet()
find_col()
iter_data_rows()
make_header_map()
normalize_header()
remove_sheet_if_exists()
safe_div()
to_float()
write_readme()
write_table()
collect_resitest8300.py --help
add_param_stats()
append_records()
append_to_excel()
build_records_from_csv()
clean_cell()
detect_carrier_sign()
ensure_sheet_with_headers()
estimate_hall_measured_current()
expand_input_patterns()
first_nonempty()
import_openpyxl()
make_file_record()
make_quality_flag()
normalized_param_label()
parse_common_block_items()
parse_float()
parse_global_info()
parse_hall_result()
parse_rho_result()
parse_unit()
print_dry_run_summary()
read_csv_rows()
row_label()
safe_excel_value()
split_blocks()
style_sheet()
thickness_to_cm()
make_alpha
pvanalyze.py --help
absorptance_from_alpha()
alpha_at_energy()
analyze_optical()
choose_sweep()
compute_p0()
compute_photon_energy_eV()
consolidate_duplicate_x()
dual_print()
estimate_initial_params()
estimate_ndiode_curve()
estimate_ndiode_representative_point()
estimate_rs_tangent_point()
estimate_rsh_tangent_point()
exec_alpha()
exec_analyze()
fit_local_line()
interpolate_to_common_wavelength()
local_poly_value()
plot_alpha()
plot_iv_comparison()
print_args_and_derived()
pv_metrics_from_iv()
quantum_efficiencies()
read_alpha_from_excel()
read_optical_spectrum()
save_alpha_to_excel()
smooth_polyfit()
zero_crossing_x()
pvfit.py --help
estimate_voc_local_quadratic()
exec_fit()
initialize_plot()
j_diode()
j_fn_forward()
j_fn_reverse()
j_sclc()
j_sclc_trap_transition()
j_tfe_forward()
j_tfe_reverse()
junction_current_forward()
junction_current_reverse()
parse_mech_mode()
print_parameter_repeat()
same_sign()
save_iv_to_excel()
setup_parameters()
sigmoid_blend()
signed_log10_current()
unpack_free_params()
used_params_from_modes()
validate_args()
SymbolProcessor
calculate_expression()
sympy_with_test.py --help
get_calculation_functions()
optimize_ga_swarm_remc.py --help
AckleyFunc()
Particle
crossover()
exchange_acceptance()
genetic_algorithm()
minimize_func()
mutate()
optimize()
particle_swarm_optimization()
replica_exchange_monte_carlo()
sampling()
select_best_from_random_group()
optimize.py --help
cfunc()
diff2()
ediff1()
ediff1b()
ediff1c()
ediff2()
ediff2b()
ediff2c()
efunc()
efuncb()
efuncc()
func()
gdiff1()
gdiff2()
gfunc()
BESearch.py --help
ReadCSV()
Search()
ef_fit.py --help
app_func()
calS()
convert_params()
convolute_by_func_np()
convolute_by_func_original()
fermi()
fwhm2kG()
get_prm_csv_path()
init_params()
kG2fwhm()
kernel_func()
load_spectrum()
model_spectrum()
print_params()
read_hapes_xy()
read_haxpes_spring8()
read_haxpes_txt()
recover_params()
simulate()
update_params()
fit_vbo_xps.py --help
Spectrum
crop()
fit_mixture()
make_interp()
normalize_intensity()
poly_background()
read_spectrum()
robust_scale()
save_outputs()
bayes_gp_gui.py --help
create_canvas_tab()
create_graph_tab()
create_left_frame2()
create_left_frame3()
create_left_frame4()
create_main_tab()
bayes_gp_gui_shimizu.py --help
bayes_gp_plain.py --help
citation()
get_dirname()
get_plot_descriptors()
load_data()
pintfloat()
read_data_file()
split_raw_data()
tkObject
tkParams
bayes_gp_plain_shimizu.py
bayes_gp_plain_shimizu.py --help
H1s_HF_LDA.py --help
Rr()
build_Qr()
calLocalUXa()
calOptimizedTotalEnergy()
calQ()
calT()
calTanal()
calTotalEnergy()
calTotalEnergyOnly()
calUXa()
calUZ()
calUanal()
calUeZ()
calUee()
calUrho()
debug()
integrate3DR()
integrate_trapezoidal()
rho()
sweep_Ne()
sweep_ka()
QD3D.py
QD3D.py --help
cal()
energy_level()
get_bessel_zeros()
get_zeros()
plot_H()
plot_spherical_bessel()
benzene.py --help
bose_condensation.py
bose_condensation.py --help
ExecFs()
ExecMu()
Fsalpha()
Gamma()
IntegFunc()
Ne_func()
free_electron_band.py --help
cal_E()
cal_kdistance()
get_cal_Elist()
get_cal_klist()
get_dklist()
interpolate3d_fft.py
interpolate3d_fft.py --help
interpolate_3d_periodic_data_fft()
interpolate_fft.py
periodic_function(k)
read_data(infile, do_mirror=False)
interpolate_fft.py --help
periodic_function()
kronig_penney.py
kronig_penney.py --help
band()
build_potential()
cal_delta()
cal_wavefunction()
check_ci()
find_Elist()
graphview()
pot()
refine_E()
wf()
kronig_penney_refactored.py
kronig_penney_refactored.py --help
apply_legacy_args()
check_wave_coefficients()
compute_band_data()
compute_boundary_matrix()
compute_delta()
compute_energy_levels()
compute_graph_data()
compute_potential_profile()
compute_potential_value()
compute_refined_energy()
compute_wave_coefficients()
compute_wavefunction()
compute_wavefunction_data()
create_context()
normalize_coefficients()
plot_graph()
plot_wavefunction()
print_coefficients()
run()
save_show_close()
pw1d.py
pw1d.py --help
cal_fft()
cal_wf()
extract_basis()
find_Vft()
find_iG()
free_KE()
ft()
reduce()
solve_pw()
refineE_schrodinger1d.py --help
compute_maxiter()
find_bracket()
residual()
schrodinger1d.py --help
V()
save_and_plot()
solve_schrodinger()
tb1d.py --help
tb_harrison.py
tb_harrison.py --help
SlaterKosterTB
conf.py
tkPlot3d.md
tkPlot3d.py --help
contour3d()
get_max_xyz()
make_cmap()
make_color_map()
make_colorbar()
make_colors()
plot_contour2d_xy()
plot_contour2d_yz()
plot_contour2d_zx()
plot_contours_xyz_by_func()
plot_isosurface3d()
plot_scatter3d()
plot_surface3d()
set_cubic_scale()
set_light()
show_color_bar()
tkWavefunction_H
tkWavefunction_H.py --help
En()
Rnl()
Rnl_if()
Ylm()
Ylm_phi()
Ylm_phi_r()
Ylm_r()
Ylm_real()
Ylm_theta()
Ylm_xyz()
Ylm_xyz_real()
analyze_function()
get_by_type()
get_orb_name()
get_qnumbers()
psi_r()
psi_r_real()
psi_xyz()
psi_xyz_real()
transfer_matrix.py
transfer_matrix.py --help
IsInBarrier()
U()
analytical_check()
build_U()
meff()
tr()
wavefunction2D.py
wavefunction2D.py --help
phi()
psi_H()
psi_H1()
psi_R_H()
psi_Y_H()
psi_pw()
psi_qbox()
psi_qbox1()
reduce2unitcell()
wfname_H()
D:/git/sphinx/tkProg/source/regression/arrhenius_plot_argparse.py
arrhenius_plot_argparse.py --help
build_design_matrix()
compute_bands()
compute_measurement_error()
compute_param_uncertainty()
mlsq_error()
MeanAcquisition
f_true
build_parser
normalize_args
infer_acquisition_from_mode
effective_model
acquisition_kwargs
make_optimizer
choose_next_index
normalize_score_for_color
safe_score_for_plot
compute_plot_posterior_and_score
run
main
acquisition_kwargs()
choose_next_index()
compute_plot_posterior_and_score()
effective_model()
f_true()
infer_acquisition_from_mode()
make_optimizer()
normalize_args()
normalize_score_for_color()
safe_score_for_plot()
lsq-general.py --help
lsqfunc()
mlsq()
lsq-polynomial.py --help
lsq_func_error_argparse.py --help
LiveFitPlotter
active_bounds()
build_eval_env()
cal_y_array()
cal_y_one()
compute_uncertainty_bands()
covariance_from_jacobian()
expand_active_matrix()
expand_active_vector()
gradient_q()
make_calculation_grid()
numerical_model_jacobian()
objective_q()
pack_active()
parse_bounds()
parse_fixed()
parse_float_list()
parse_ranges()
parse_str_list()
pause_if_needed()
plot_results()
read_table()
residual_vector()
step_for_param()
unpack_active()
auto_stem()
compute_fit_band()
free_names_all_optid1()
make_progress_figure()
pseudo_voigt_unit()
read_params()
run_lfit()
run_model_select()
save_animation()
save_final_plot()
update_progress_plot()
mlsq_error_argparse.py --help
ridge_gaussian_basis.py --help
Ridge()
ridge_kernel_gaussian.py --help
KernelRidge()
kernel()
scikit_regressions.py --help
remove_control_tag()
split_df()
FFT_func.py --help
FFT()
IFFT()
common_func()
rand()
FFT_interpolate.py --help
FFT_smoothing.py --help
FFT_smoothing()
convolution.py --help
convolve_func()
deconvolution.py --help
Hij()
Lorentzian()
SmoothingByPolynomialFit()
SmoothingBySimpleAverage()
Smoothing_Penalty_Regression()
apply_args_to_globals()
build_arg_parser()
convolve()
deconvolute_deconvolve()
deconvolute_fft()
deconvolute_gauss_seidel()
deconvolute_jacobi()
deconvolute_nnls()
deconvolute_ridge()
deconvolute_sp()
edge_weight_at()
extend_smooth()
make_basis_matrix()
make_edge_correction_weights()
make_first_difference_matrix()
make_wf()
parse_label()
parse_xlimit()
plot_input_data()
ft_exafs_scan.py --help
apply_scan_value()
calc_fft_exafs()
calc_mem_exafs()
estimate_dk()
find_main_peak()
get_active_scan()
load_xy()
make_hanning_range_window()
make_output_filename()
normalize_curve()
normalized_label()
preprocess_signal()
run_transform_for_args()
save_results_excel()
scan_values()
select_ar_order()
y_from_fft_result()
y_from_mem_result()
smoothing.py --help
diff2backward()
diff2forward()
diff3()
diff5()
diff7()
test()
burst_sphinx_indexes.py --help
check_module_name.py --help
check_api_html()
extract_main_html()
find_files()
read_text()
strip_html()
check_one_rst()
extract_automodule_names()
fallback_py_path_from_rst()
fix_module_name()
has_unprotected_argv()
module_name_to_py_path()
replace_automodule_name()
replace_in_file()
safe_module_name()
write_text()
add_sys_paths()
child_import_one_file()
load_conf_mocks()
raise_if_subprocess_failed()
run_import_in_subprocess()
expand_patterns()
format_data_section()
format_image_section()
is_image_file()
is_thumbnail_file()
TFTiv.py --help
analyze_TFT_refactored.py --help
AnalysisConfig
IdVdResult
IdVgResult
analyze_idvd_lin()
analyze_idvg_lin()
analyze_idvg_sat()
calculate_ion_ioff()
calculate_local_slope_by_linear_fit()
calculate_vth_by_max_slope()
first_index_at_or_above()
intercept_x()
output_path()
plot_idvg_lin()
plot_root_idvg()
read_excel_file()
safe_inverse()
validate_config()
validate_required_columns()
write_summary_outputs()
draw_tft3d.py
draw_tft3d.py --help
Layer
add_layer_labels()
add_legend()
build_layers()
configure_camera()
get_scene_bounds()
install_camera_keybindings()
parse_figsize()
positive_float()
render_tft()
set_camera_direction()
tft.py --help
illustrate_TFT_model()
illustrate_TFT_model3d()
simulate_IV()
Tee
get_args()
calculate_cox()
default_excel_name()
_existing_or_first_path()
prepare_output_paths()
plot_path()
savgol_center_only()
add_read_columns_grouped()
plot_read_data()
run_read_mode()
_normalize_tft_column_name()
_to_numeric_dataframe()
_float_meta()
_int_meta()
_infer_smu_sweep_variable()
_infer_sweep_values()
_infer_primary_branch_points()
_is_double_primary_sweep()
_add_4155_inferred_columns()
read_4155_dataname_datavalue_csv()
_read_text_lines_with_detected_encoding()
detect_and_load()
valid_savgol_window()
nearest_row_by_current()
add_sweep_index()
select_sweep_segment()
build_analysis_points()
region_check_saturation()
region_check_linear()
classify_transfer_region()
analyze_vg_core()
annotate_vline()
plot_idvg_quad()
print_transfer_report()
interpolate_id_at_vd()
analyze_idvd_logic()
make_summary_dataframe()
run_analysis()
tftanalyze.py --help
plot_idvg_triple()
Electron_Helmholtz_energy.py --help
E_int()
Ne0()
S()
dosfe()
entropy()
f_dos()
make_kpoints.py --help
convert_primitive()
generate_kpoints()
read_cif()
snap()
make_md_history.py --help
make_history()
outcar2axsf.py --help
WriteXSFAnimationFileHeader()
WriteXSFFileFromCrystal()
outcar2axsf()
pdos.py --help
plot_VASP_DOS_Ne.py --help
calculate_concentrations()
calculate_seebeck_coefficient()
fermi_dirac()
read_car.py --help
read_chgcar()
vasp_correction_VBM.py --help
VBM_correction()
vasp_correction_bandfilling.py --help
BF_correction()
vasp_correction_charge.py
vasp_correction_charge.py --help
correct_charged_defects()
read_dielectric_inf_el()
read_dielectric_inf_ion()
read_dipole_inf()
vasp_defect.py
vasp_defect.py --help
callbackfunc()
check_atom_sites()
convert_range2index()
diff()
integrate_trapezoid()
integrate_trapezoid_by_list()
print_transition_level()
read_files()
tkDefect
tkDefects
vasp_ef.py --help
cal_densities()
dQ()
vasp_input.py --help
cif2poscar()
vasp_plot_band.py --help
plot_band_structure()
save_bandstructure()
vasp_plot_dos.py --help
plot_dos()
vasp_plot_epsilon.py --help
plot_epsilon()
read_epsilon()
vasp_watch.py --help
update_relax()
watch_relax()
make_axsf()
read_axsf()
JSONView.py --help
build_tree()
insert_item()
load_json()
window_close()
XMLView.py --help
XMLViewer
XML_Edit2.py --help
XMLViewerEditor
XML_Edit3.py --help
XML_Edit.py --help
image_view.py --help
ImageViewer
mdview.py --help
MarkdownViewerApp
parse_arguments()
read_ini_file()
write_ini_file()
plot3d.py --help
build_cartesian_grid()
downsample_volume()
fractional_spacing_after_downsampling()
parse_fracs()
plot_isosurfaces_fractional()
render_slice_plane()
gcm3_to_kgm3(rho)
nm_to_A(t_nm)
is_cif_path(s)
load_from_cif(path)
atominf_xrayutilities.py --help
gcm3_to_kgm3()
is_cif_path()
load_from_cif()
nm_to_A()
guess_lattice_parameters.py
guess_lattice_parameters.py --help
Candidate
Peak
apply_x_range()
assign_ka2()
beta_from_params()
bragg_d()
build_argument_parser()
candidate_from_lattice_args()
candidate_from_summary_row()
candidate_to_summary_row()
compare_candidate_with_peaks()
deduplicate_candidates()
default_guess_file_for_peak_file()
default_peak_file_for_input()
estimate_fwhm()
estimate_lattice_limit_from_peaks()
filter_candidates_by_lattice_max()
filter_theoretical_lines_for_plot()
frange_values()
guess_candidates()
has_explicit_lattice_params()
import_lsq_module()
inv_d2_from_two_theta()
looks_like_raw_xrd_file()
normalize_mode()
params_from_beta()
params_within_lattice_max()
parse_crystal_systems()
peak_search_deriv3()
peaks_to_frame()
plot_compare_results()
predicted_inv_d2()
print_peak_table()
read_candidate_from_guess_file()
read_peaks_file()
read_xy_data()
refine_with_lsq()
resolve_lattice_max_limit()
resolve_mode_and_input()
run_compare()
run_guess()
run_search()
sanitize_stem()
save_workbook()
score_system()
score_system_grid()
strip_peak_suffix()
system_rows()
theoretical_lines_for_candidate()
try_read_raw_xy_for_plot()
two_theta_from_d()
two_theta_from_inv_d2()
Observation
LeastSquaresResult
CellConstants
JobConfig
JobData
LatticeCalculationError
LineReader
SigmaPropagator
TeeStream
clamp_unit()
safe_sqrt()
acos_deg()
reciprocal_volume_from_cosines()
direct_cosine_from_reciprocal()
direct_length_from_reciprocal()
direct_volume_from_reciprocal()
trigonal_direct_length()
trigonal_direct_cosine()
trigonal_direct_volume()
base_design_terms()
lattice_design_row()
transformed_position()
calc_weight()
correction_terms()
read_numeric_line()
parse_jobs()
weighted_least_squares()
derive_cell_constants()
make_default_output_path()
lattice_system_name()
lattice_parameter_labels()
correction_metadata()
format_value_sigma()
write_section_title()
parameter_blocks()
calc_fit_statistics()
mode_description_position()
mode_description_weight()
write_job_report()
plot_job_result()
lsq_latt2.py --help
slxrd.py --help
cLaue()
diffQ()
test_lsq_latt2.py --help
CellCase
FitResult
all_cases()
build_input_text()
cell_metric()
cell_to_dict()
d_spacing()
deg2rad()
format_case_report()
generate_reflections()
infer_issue()
inv3()
judge_diffs()
parse_output_file()
run_one_case()
initialize(parser)
read
guess
xrd_fit_xrayutilities.py --help
apply_fix_list()
assign_fringe_index_auto()
build_cluster_peak_tables()
calc_pattern_from_param_set()
calc_residual()
clamp_values()
clone_parameter_set()
detect_fringe_clusters()
ensure_valid_savgol()
estimate_thickness_from_fft_signal()
fit_pso()
fit_random()
fit_scipy()
get_guess_clusters_filename()
get_guess_peaks_filename()
get_optimize_names()
get_param_bounds()
get_parameter_filename()
get_pso_parameter_sets()
guess_thickness()
linear_fit_two_stage()
make_default_parameter_set()
make_default_parameter_sets()
make_initial_simplex()
make_live_plot()
make_scan_axis()
objective_from_param_set()
pack_optimize_values()
parameter_set_to_values()
plot_xrd()
prepare_materials()
randomize_param_set_for_pso()
read_text_data()
replace_pso_parameter_sets()
save_guess_cluster_csv()
save_guess_peak_csv()
set_best_parameter_set()
show_final_live_plot_wait()
unpack_optimize_values()
update_live_plot()
update_rrange()
XRD_GUI_lib.py --help
error_message()
get_supported_file_filters()
parse_reference()
parse_xrd()
set_two_theta_range()
set_wavelength()
MakeSiteMap.py --help
build_hierarchy_dict()
clean_html_content()
crawl_recursive()
find_urls_in_html()
generate_html_sitemap_tree()
get_page_title()
is_excluded_path()
is_target_url()
normalize_url()
render_tree()
XMLSiteMap.py --help
generate_xml_sitemap_with_metadata()
make_sitemap_from_path.py --help
extract_title()
find_html_files()
generate_sitemap()
replace_recursive.py --help
copy_file()
extract_filename()
process_directory()
read_file_with_detected_encoding()
regex_replace()
replace_strings_in_file()
tkapplication_cgi.py --help
tkApplication_CGI
tkapplication.py --help
tkargs.py --help
tkArgs
tkcsv.py --help
tkCSV
tkdatafile.py --help
tkDataFile
tkdebug.py --help
dbg()
set_debug()
tkexcel_db.py --help
tkExcelDB
tkexcel.py --help
convert_color()
convert_linestyle()
convert_size()
tkExcel
tkExcelChart
tkExcel_sheet
tkfile.py --help
get_encoding()
open_chardet()
tkFile
tkfilter.py --help
tkFilter
tkimport.py --help
import_lib()
messages()
tkinifile.py --help
tkIniFile
tkobject.py --help
tkparams.py --help
tkplugin.py --help
tkModule
tkre.py --help
DelLastSpace()
DelQuote()
DelSpace()
DelTopSpace()
FindAll()
FindIter()
GetReg_flag()
Match()
Split()
Sub()
SubN()
get_result()
shSplit()
tkRegExp
tkscript_macro.py --help
tkScript
tktemplate.py --help
add_to_excel()
convert_str()
read_replacement_db()
read_template_xlsx()
replace_df_columns()
tkutils.py --help
BuildCreationDateStr()
Exists()
GetList()
GetPathDelimiter()
IsDir()
IsFile()
MakePath()
SplitFilePath()
add_dict()
add_path()
add_quotation()
analyze_varstr()
check_attributes()
conv_float()
convert_by_vars()
copy_path()
del_quote()
delete_file()
desktop_name()
find_executable_path()
find_latest_file()
find_range_indexes()
format_strlist()
get_PATH_env_separator()
get_class()
get_definition_position()
get_ext()
get_ext_separator()
get_file_list()
get_file_masks()
get_fullpath()
get_last_directory()
get_max_index()
get_min_index()
get_os()
get_os_info()
get_path_list()
get_path_separator()
get_position()
get_position_str()
get_upper_directory()
get_user_inifile_dir()
getenv()
graph_style_idx()
index2val()
is_dir()
is_exist()
is_file()
is_float()
is_int()
is_linux()
is_list()
is_mac()
is_numeric()
is_windows()
joinf()
kill_process_interactive()
lvlprint()
make_path()
merge_attributes()
minmax_xy()
mprint()
normalize_name()
normalize_str()
pconv()
pconv_by_type()
pconv_by_type_one()
pdb()
print_line()
print_position()
print_process()
quote_command_if_space()
raise_error()
read_csv2()
read_csv_to_dict()
read_csv_to_dict_list()
remove_comments()
safe_getelement()
search_executable_path()
set_exception()
setenv()
sfmt()
sort_lists()
split_command_line()
split_drive()
split_file_path()
split_optstr()
split_quoted_args()
split_two()
str2val()
to_list()
transpose_list2d()
val2str()
validate_error()
tkvariousdata.py --help
tkVariousData
tkxml.py --help
dict2xml()
file2dict()
get_attrib()
get_elements_recursive()
get_root()
get_section_inf()
get_section_inf_all()
get_unique_key()
to_xml()
xml2dict()
tkBase.py --help
end_html()
init_html()
set_error_handler()
tkCGIApplication.py --help
tkCGIApplication
tkResponse
tkFormData.py --help
get_params()
tkFormData
tkHTMLDocument.py --help
TableStructure
tkHTMLDocument
tkHTMLElement
tkatomsite.py --help
tkAtomSite
tkatomsiteobject.py --help
Round01()
RoundParameter()
tkAtomSiteObject
tkatomtype.py --help
read_SX1_potential()
read_atom_inf_csv()
read_shannon_ionic_radii()
tkAtomType
tkatomtypeobject.py --help
Charge2f()
GetAtomInformation()
GetAtomName()
ReadAtomDB()
SplitAtomName()
get_atom_information()
read_atom_db()
tkAtomTypeObject
tkbandstructure.py --help
tkboltztrap.py --help
tkBoltzTraP
tkcif2pymatgen.py --help
tkcrystal_to_pmg_structure()
tkcif.py --help
tkCIF
tkcifobject.py --help
tkCIFData
tkCIFObject
tkcrystal.py --help
tkCrystal
tkcrystalobject.py --help
tkCrystalObject
tkpymatgen.py --help
is_valid_vasprun()
matrix_to_str()
tkPymatgen
tkPymatgenVASP
to_str()
vector_to_str()
tkrietan.py --help
tkRietan
tkspacegroup.py --help
tkSpaceGroup
tkspacegroupobject.py --help
tkSpaceGroupObject
tkvasp.py --help
tkVASP
tkvesta.py --help
tkVESTA
tkxrd.py --help
tkTransport.py --help
BMShift_FEA()
CalEF_metal()
CalNe_metal()
CalPlasmaFrequency()
DC02meff_FEA()
DegenerateFD_z
DegenerateFermiDirac()
DiffFermiDiracDistribution()
FermiIntegral_Simpson()
FermiIntegral_fast()
FermiIntegral_simple()
FermiIntegral_x2()
LorentzNumber_FEA
MR()
MR_samemu()
MR_singlecarrier()
MR_twocarrier()
NC2meff_FEA()
NonDegenerateFermiDirac()
RichardsonDushman_FEA()
cal_statistics()
cal_transport()
cal_twocarriers()
func_Fr()
func_Fr_x2()
integrate_Simpson()
integrate_Simpson_list()
meff2DC0_FEA()
meff2NC_FEA()
read_Hall_excel()
read_datafile()
read_excel()
tkopengl.py --help
draw_arrow()
draw_cylinder()
draw_sphere()
draw_text()
tkOpenGL
tkplot.py --help
tkPlot
tkplot_pyplot.py --help
select_plt()
tkPlot_pyplot
tkplot_tkinter.py --help
tkPlot_tkinter
tkplotevent.py --help
RangeSelector
tkPlotEvent
tkapplication_gui.py --help
tkApplication_GUI
tkmenu_popup.py --help
tkMenu_popup
tksimple_gui.py
tksimple_gui.py --help
CustomDialog_with_config
add_widgets()
get_window_from_plt()
show_varibles()
tkScrolledListbox
tkWidgets
tktkinter.py --help
Button()
Canvas()
CheckButton()
Combobox()
ComboboxFrame()
Editor()
Entry()
Frame()
LabelEntryFrame()
Menu()
PathFrame()
RangeFrame()
Text()
add_widget()
askinteger()
askstring()
color_dialog()
dialog_askfloat()
dialog_okcancel()
dialog_retrycancel()
dialog_showerror()
dialog_showinfo()
dialog_showwarning()
dialog_yesno()
edit_button_click()
execute_command()
folder_button_click()
font_dialog()
make_check_box()
make_path_frame()
make_var_box()
path_button_click()
set_variable_from_list()
shell_button_click()
tkButton
tkCustomDialog_by_config
tkEntry
tkInputDialog
tkSelectDialog
tkSetupDialog
tkSpinbox
tkdialog_yesno
tktooltip.py --help
tkTooltip
外部リンク
誤差評価・モデル選択機能付き最小二乗法ライブラリマニュアル: