Dans_Diffraction
Reads crystallographic cif files and simulates diffraction
파일 탐색기
최종 버전 다운로드 (.zip)- pypi-publish.yml
- tests.yml
- atomic_scattering_factors.npy
- Dans Element Properties.txt
- Element_OxidationStates.txt
- f0_WaasKirf.dat
- McPhase_Mag_FormFactors.txt
- neutron_isotope_scattering_lengths.dat
- neutron_isotope_scattering_lengths_sears.dat
- peng.dat
- PointGroups.json
- README.md
- SpaceGroups.json
- SpaceGroupsMagnetic.json
- XRayEdges.dat
- XRayMassAtten_muenp.dat
- XRayMassAtten_mup.dat
- Aluminium.cif
- BCC.cif
- Beryllium.cif
- Ca2RuO4.cif
- Ca3CoMnO6.mcif
- Cobalt.cif
- Copper.cif
- Cubic.cif
- Diamond.cif
- FCC.cif
- Gold.cif
- Graphite.cif
- HCP.cif
- Iron.cif
- KCl.cif
- LaMnO3.mcif
- LiCoO2.cif
- MnO.mcif
- Na0.8CoO2_P63mmc.cif
- NaCoO2_stripe_supercell.cif
- Niobium.cif
- README.md
- Ruby.cif
- Ruthenium.cif
- Rutile.cif
- Sapphire.cif
- Silicon.cif
- Silver.cif
- Sr3LiRuO6.cif
- Sr3LiRuO6_C2'c'.mcif
- triclinic.cif
- Vanadium.cif
- ZnO.cif
- __init__.py
- basic_widgets.py
- converter.py
- crystal.py
- diffractometer.py
- fdmnes.py
- multi_crystal.py
- multiple_scattering.py
- periodic_table.py
- properties.py
- README.md
- scattering.py
- spacegroups.py
- tensor_scattering.py
- __init__.py
- __main__.py
- classes_crystal.py
- classes_fdmnes.py
- classes_multicrystal.py
- classes_orbitals.py
- classes_orientation.py
- classes_plotting.py
- classes_properties.py
- classes_scattering.py
- classes_structures.py
- functions_crystallography.py
- functions_general.py
- functions_lattice.py
- functions_plotting.py
- functions_scattering.py
- multiple_scattering.py
- README.md
- tensor_scattering.py
- _config.yml
- Dans_Diffraction.classes_crystal.html
- Dans_Diffraction.classes_fdmnes.html
- Dans_Diffraction.classes_orientation.html
- Dans_Diffraction.classes_plotting.html
- Dans_Diffraction.classes_properties.html
- Dans_Diffraction.classes_scattering.html
- Dans_Diffraction.classes_structures.html
- Dans_Diffraction.functions_crystallography.html
- Dans_Diffraction.functions_general.html
- Dans_Diffraction.functions_lattice.html
- Dans_Diffraction.functions_plotting.html
- Dans_Diffraction.functions_scattering.html
- Dans_Diffraction.html
- Dans_Diffraction.multiple_scattering.html
- Dans_Diffraction.tensor_scattering.html
- Dans_Diffraction.tkgui.basic_widgets.html
- Dans_Diffraction.tkgui.converter.html
- Dans_Diffraction.tkgui.crystal.html
- Dans_Diffraction.tkgui.diffractometer.html
- Dans_Diffraction.tkgui.fdmnes.html
- Dans_Diffraction.tkgui.html
- Dans_Diffraction.tkgui.multi_crystal.html
- Dans_Diffraction.tkgui.multiple_scattering.html
- Dans_Diffraction.tkgui.properties.html
- Dans_Diffraction.tkgui.scattering.html
- Dans_Diffraction.tkgui.spacegroups.html
- Dans_Diffraction.tkgui.tensor_scattering.html
- index.html
- example_3d_intensity.py
- example_build_crystal.py
- example_calculate_intensities.py
- example_cell_basis.py
- example_cell_sliders.py
- example_complex_neutron_scattering.py
- example_crysalispro_cuts.py
- example_crystal_orientation.py
- example_custom_scattering_factors.py
- example_cxro.py
- example_dac_reflections.py
- example_detector_image.py
- example_diffraction_detector.py
- example_diffractometer.py
- example_diffractometer_find_allrefs.py
- example_diffractometer_find_ref.py
- example_electron_diffraction.py
- example_exchange_path.py
- example_fdmnes.py
- example_fdmnes_analysis.py
- example_fdmnes_Fe2O3.py
- example_fdmnes_multifile.py
- example_generate_powder.py
- example_generate_powder_custom_profile.py
- example_gui.py
- example_intensity_comparison.py
- example_large_structure_calculation.py
- example_latex_table.py
- example_magnetic_cif.py
- example_magnetic_neutron_scattering.py
- example_magnetic_structure.py
- example_magnetic_symmetry.py
- example_multicrystal.py
- example_multiple_scattering.py
- example_orbitals.py
- example_orient_reflection.py
- example_plot_powder.py
- example_plot_reciprocalspace.py
- example_polarised_neutrons.py
- example_read_cif.py
- example_reflections.py
- example_reflections_to_powder.py
- example_resonant_scattering.py
- example_spacegroups.py
- example_supercell.py
- example_supercell_plotlayers.py
- example_supercell_powder.py
- example_tensor_scattering.py
- example_write_cif.py
- example_write_mcif.py
- example_xray_dispersion.py
- README.md
- 3Dstructrue_Ca3CoMnO6.png
- diffractometer.png
- GUI_00.png
- GUI_00FDMNES.png
- GUI_01.png
- GUI_02.png
- GUI_03.png
- GUI_04.png
- GUI_05.png
- GUI_05b.png
- GUI_06.png
- GUI_07.png
- GUI_08.png
- GUI_09.png
- GUI_10.png
- GUI_11.png
- GUI_all.png
- ms_azimuth_silicon.png
- ms_energy_silicon.png
- powder_diamond.png
- scatter_gui_all.png
- scattering_gui_new.png
- supercell_diffraction.png
- ts_azimuth_ZnO.png
- xray_scattering_factor.png
- result_2020_05_02_V1.8.txt
- result_2020_05_26_V1.8.txt
- result_2021_01_04_V1.9.txt
- result_2021_09_27_V2.1.txt
- result_2022_03_14_V2.2.txt
- result_2022_07_23_V2.2.txt
- result_2023_01_06_V2.2.txt
- result_2023_05_08_V2.3.txt
- result_2023_07_02_V3.0.txt
- result_2023_09_26_V3.1.txt
- result_2024_05_19_V3.2.txt
- result_2024_11_20_V3.3.txt
- unit_tests.py
- parsed_cif_output.json
- vesta_cubic.txt
- vesta_hexagonal.txt
- vesta_monoclinic.txt
- vesta_rhombohedral.txt
- vesta_Rutile_neutron.txt
- vesta_Rutile_xray.txt
- vesta_tetragonal.txt
- vesta_triclinic.txt
- __init__.py
- create_cif_output.py
- load_data.py
- test_cif.py
- test_data_tables.py
- test_functionality.py
- test_lattice.py
- test_structure_factors.py
- .gitignore
- Dans_Diffraction.ipynb
- DD_icon.ico
- DD_icon.png
- LICENSE
- main_gui.py
- pyproject.toml
- README.md
- requirements.txt
- run.cmd
- setup.py
# 설치 가이드
1. 코드 내려받기
git clone https://github.com/DanPorter/Dans_Diffraction
깃허브에서 프로젝트 코드 전체를 내 컴퓨터로 내려받습니다.
cd Dans_Diffraction
방금 내려받은 프로젝트 폴더 안으로 이동합니다.
2. Python
쉬움 추천사전 준비물
$ python -m pip install Dans-Diffraction
requirements.txt 등에 명시된 파이썬 라이브러리를 설치합니다.
$ python -m pip install git+https://github.com/DanPorter/Dans_Diffraction.git
requirements.txt 등에 명시된 파이썬 라이브러리를 설치합니다.
$ python -m pip install .
requirements.txt 등에 명시된 파이썬 라이브러리를 설치합니다.
에러 메시지 없이 실행되고 터미널에 안내 문구가 출력되면 정상입니다.
이 레포의 README에 적힌 실제 명령어를 그대로 가져왔습니다.
// repository documentation
Was this content helpful?
(0 ratings)
