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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| BondValenceSum.pl | 2025-07-14 06:09 | 4.1K | |
| C6H6.xyz | 2025-08-18 12:57 | 383 | |
| CH4.xyz | 2025-08-14 05:43 | 227 | |
| CH4_aligned.xyz | 2025-08-14 05:59 | 202 | |
| CIF-Object.pl | 2023-10-24 13:47 | 8.5K | |
| CIF.pl | 2023-10-24 13:47 | 21K | |
| CalcDVAtom.pl | 2023-10-24 13:47 | 39K | |
| CalculateDistance.pl | 2023-10-24 13:47 | 14K | |
| CalculateDistanceAng..> | 2023-10-24 13:47 | 236 | |
| CalculateRDF.pl | 2023-10-24 13:47 | 18K | |
| ConvertHKL.pl | 2023-10-24 13:47 | 2.2K | |
| ConvertLatticeForCIF.pl | 2023-10-24 13:47 | 8.0K | |
| Fhkl.md | 2025-08-13 16:50 | 6.0K | |
| Fhkl.py | 2025-05-15 08:37 | 17K | |
| H2O.xyz | 2025-08-18 12:57 | 111 | |
| LatticeConvert.pl | 2023-10-24 13:47 | 17K | |
| Launcher_tkami.ini-s..> | 2023-05-24 11:53 | 9.1K | |
| MP_Ewald.md | 2025-08-13 16:51 | 5.8K | |
| MP_Ewald.py | 2025-05-15 02:59 | 12K | |
| MadelungPotential.pl | 2023-10-24 13:47 | 23K | |
| MakeAmoprhous.pl | 2023-10-24 13:47 | 7.7K | |
| MakeSPGDatabase.pl | 2023-10-24 13:47 | 3.4K | |
| MakeStructureModel.bat | 2023-10-23 17:08 | 93 | |
| MakeStructureModel.pl | 2023-10-23 17:08 | 20K | |
| NH3.xyz | 2025-08-18 12:57 | 143 | |
| NaCl.cif | 2005-06-18 13:40 | 6.0K | |
| RietanFP/ | 2023-10-24 13:47 | - | |
| SF6.xyz | 2025-08-18 12:57 | 256 | |
| SPG.pl | 2023-10-24 13:47 | 2.8K | |
| SplitCIF/ | 2023-10-24 13:47 | - | |
| SrTiO3-Extracted.cif | 2023-04-30 11:54 | 896 | |
| SrTiO3-cluster.cif | 2023-04-30 11:50 | 4.9K | |
| SrTiO3-converted.cif | 2023-04-30 10:58 | 1.6K | |
| SrTiO3-out.txt | 2023-06-12 10:07 | 3.0K | |
| SrTiO3.PPO | 2023-04-30 11:23 | 252 | |
| SrTiO3.cif | 2007-08-24 13:44 | 3.0K | |
| SrTiO3.in | 2023-04-30 11:13 | 489 | |
| SrTiO3.ins | 2023-04-30 11:44 | 35K | |
| SrTiO3.lst | 2023-04-30 11:44 | 12K | |
| VESTA/ | 2023-10-24 13:47 | - | |
| XPR/ | 2025-07-07 09:32 | - | |
| XRD.pl | 2023-10-24 13:47 | 6.2K | |
| XRD_GUI.md | 2025-08-13 16:52 | 7.1K | |
| XRD_GUI.py | 2025-07-11 15:50 | 136K | |
| XRD_GUI_lib.md | 2025-08-13 16:52 | 5.5K | |
| XRD_GUI_lib.py | 2025-07-11 16:28 | 4.9K | |
| XRD_diffraction_angl..> | 2025-08-13 16:52 | 5.9K | |
| XRD_diffraction_angl..> | 2025-05-15 07:29 | 8.0K | |
| ZnO-final-out.txt | 2023-11-19 11:12 | 2.1K | |
| ZnO-final-symmetrize..> | 2023-11-19 11:12 | 1.0K | |
| ZnO-final.cif | 2023-11-17 18:03 | 1.4K | |
| __pycache__/ | 2025-08-19 10:16 | - | |
| alamode_xyz2cif.md | 2025-08-13 16:45 | 5.5K | |
| alamode_xyz2cif.py | 2024-06-13 04:40 | 22K | |
| bond_valence_sum.md | 2025-08-13 16:46 | 6.2K | |
| bond_valence_sum.py | 2025-07-14 09:53 | 4.2K | |
| bond_valence_sum_BVA..> | 2025-08-13 16:46 | 5.6K | |
| bond_valence_sum_BVA..> | 2025-07-14 09:59 | 3.7K | |
| bz_draw.md | 2025-08-13 16:46 | 5.9K | |
| bz_draw.py | 2025-08-14 01:43 | 19K | |
| bz_draw_gpt5.md | 2025-08-13 03:52 | 7.2K | |
| cfg2cif.md | 2025-08-13 16:46 | 5.4K | |
| cfg2cif.py | 2023-10-24 13:47 | 5.6K | |
| check_vb_params_VBAn..> | 2025-08-13 16:46 | 4.9K | |
| check_vb_params_VBAn..> | 2025-07-14 06:42 | 1.3K | |
| check_vb_params_VBAn..> | 2025-07-14 06:49 | 9.5K | |
| cif.md | 2025-08-13 16:47 | 5.8K | |
| cif.py | 2024-09-26 03:45 | 2.7K | |
| cif/ | 2023-10-24 13:47 | - | |
| cif2rdf.md | 2025-08-13 16:47 | 6.4K | |
| cif2rdf.py | 2023-10-24 13:47 | 21K | |
| cif_distance.sh | 2023-10-23 17:08 | 1.3K | |
| cif_inf_pymatgen.md | 2025-08-13 16:47 | 6.2K | |
| cif_inf_pymatgen.py | 2023-10-23 17:08 | 4.6K | |
| cif_read.md | 2025-08-13 16:47 | 5.7K | |
| cif_read.py | 2023-10-24 13:47 | 6.9K | |
| conversion/ | 2021-12-26 14:39 | - | |
| convert_cell.md | 2025-08-13 16:48 | 6.4K | |
| convert_cell.py | 2023-10-24 13:47 | 9.8K | |
| crystal_MP_Evjen.md | 2025-08-13 16:49 | 6.3K | |
| crystal_MP_Evjen.py | 2021-07-25 14:34 | 7.2K | |
| crystal_MP_Ewald.md | 2025-08-13 16:49 | 6.0K | |
| crystal_MP_Ewald.py | 2021-07-25 14:31 | 8.7K | |
| crystal_MP_simple.md | 2025-08-13 16:49 | 6.1K | |
| crystal_MP_simple.py | 2021-07-25 14:34 | 9.4K | |
| crystal_XRD.md | 2025-08-13 16:49 | 6.1K | |
| crystal_XRD.py | 2021-07-25 14:32 | 4.6K | |
| crystal_convert_cell.md | 2025-08-13 16:48 | 6.5K | |
| crystal_convert_cell.py | 2021-07-27 08:47 | 10K | |
| crystal_distance.md | 2025-08-13 16:48 | 5.9K | |
| crystal_distance.py | 2021-07-25 14:30 | 5.0K | |
| crystal_draw_cell.md | 2025-08-13 16:48 | 5.6K | |
| crystal_draw_cell.py | 2021-07-27 08:49 | 5.1K | |
| doc/ | 2023-10-23 17:08 | - | |
| draw_cell.md | 2025-08-13 16:49 | 6.6K | |
| draw_cell.py | 2023-10-24 13:47 | 9.1K | |
| draw_crystal_OGL-out..> | 2024-08-28 17:32 | 3.0K | |
| draw_crystal_OGL.md | 2025-08-13 16:50 | 6.4K | |
| draw_crystal_OGL.py | 2024-11-21 15:12 | 23K | |
| draw_crystal_OGL_Qt.md | 2025-08-13 16:50 | 4.5K | |
| draw_crystal_OGL_Qt.py | 2024-07-13 06:51 | 2.2K | |
| draw_crystal_OGL_arg..> | 2024-08-14 22:14 | 9.7K | |
| ewald_c.c | 2025-08-17 03:26 | 9.2K | |
| ewald_c.dll | 2025-08-17 03:10 | 116K | |
| ewald_c_ctypes.md | 2025-08-19 00:41 | 6.1K | |
| ewald_c_ctypes.py | 2025-08-17 03:16 | 2.9K | |
| ewald_c_ctypes_test.md | 2025-08-19 00:41 | 5.9K | |
| ewald_c_ctypes_test.py | 2025-08-17 03:14 | 1.1K | |
| ewaldfP_BM.md | 2025-08-19 00:40 | 6.0K | |
| ewaldfP_BM.py | 2025-08-17 03:52 | 29K | |
| ewaldf_BM.md | 2025-08-19 00:41 | 6.0K | |
| ewaldf_BM.py | 2025-08-16 18:03 | 23K | |
| filter/ | 2024-04-16 14:17 | - | |
| find_clusters.md | 2025-08-13 16:50 | 6.1K | |
| find_clusters.py | 2023-10-24 13:47 | 10K | |
| find_point_group.md | 2025-08-19 00:42 | 6.5K | |
| find_point_group.py | 2025-08-18 23:54 | 17K | |
| get_cif.md | 2025-08-02 10:47 | 2.2K | |
| get_cif.py | 2024-08-24 12:25 | 4.6K | |
| h2o_aligned.xyz | 2025-08-19 00:07 | 136 | |
| interatomic_distance.md | 2025-08-13 16:50 | 5.9K | |
| interatomic_distance.py | 2023-10-24 13:47 | 4.8K | |
| md.py | 2025-08-17 02:56 | 16K | |
| md_anim.py | 2025-08-19 04:52 | 23K | |
| md_c.md | 2025-08-19 00:42 | 6.2K | |
| md_c.py | 2025-08-17 03:21 | 16K | |
| pg_generators.md | 2025-08-13 16:51 | 6.0K | |
| pg_generators.py | 2025-08-14 04:50 | 14K | |
| pg_proj.png | 2025-07-21 00:56 | 26K | |
| point_group - コピ..> | 2025-07-21 00:36 | 9.1K | |
| point_group - コピ..> | 2025-07-20 23:48 | 6.3K | |
| point_group.md | 2025-08-13 16:51 | 6.1K | |
| point_group.py | 2025-08-19 00:28 | 15K | |
| point_group_inf - ã‚..> | 2025-08-18 14:24 | 23K | |
| point_group_inf.md | 2025-08-19 00:43 | 6.4K | |
| point_group_inf.py | 2025-08-19 00:07 | 11K | |
| prev/ | 2023-11-19 11:12 | - | |
| pymatgen_tutorial_ci..> | 2025-08-02 10:47 | 2.0K | |
| pymatgen_tutorial_ci..> | 2023-06-03 08:58 | 4.0K | |
| pymatgen_tutorial_cr..> | 2025-08-02 10:48 | 1.9K | |
| pymatgen_tutorial_cr..> | 2023-06-03 09:14 | 8.1K | |
| pymatgen_tutorial_st..> | 2025-08-02 10:48 | 1.9K | |
| pymatgen_tutorial_st..> | 2023-06-03 09:04 | 5.4K | |
| pymatgen_tutorial_xr..> | 2025-08-02 10:48 | 2.1K | |
| pymatgen_tutorial_xr..> | 2023-06-03 09:19 | 10K | |
| space_group - コピ..> | 2025-07-18 02:19 | 9.0K | |
| space_group.md | 2025-08-02 10:49 | 2.4K | |
| space_group.py | 2025-08-14 04:53 | 14K | |
| superlattice/ | 2023-10-24 13:47 | - | |
| symmetrize_cif.bat | 2023-05-06 21:41 | 122 | |
| symmetrize_cif.sh | 2023-05-06 21:37 | 202 | |
| symmetrize_pymatgen.md | 2025-08-13 16:51 | 5.5K | |
| symmetrize_pymatgen.py | 2024-08-06 13:53 | 1.2K | |
| symmetrize_tklib.md | 2025-08-13 16:51 | 6.8K | |
| symmetrize_tklib.py | 2023-11-19 11:12 | 7.1K | |
| tkcrystalbase.md | 2025-07-31 07:51 | 23K | |
| tkcrystalbase.py | 2023-10-24 13:47 | 12K | |
| tkpointgroup.md | 2025-08-19 00:43 | 6.0K | |
| tkpointgroup.py | 2025-08-19 00:38 | 42K | |
| vib_irreps - コピã..> | 2025-08-18 13:18 | 35K | |
| vib_irreps.md | 2025-08-19 00:43 | 5.9K | |
| vib_irreps.py | 2025-08-20 02:13 | 4.8K | |
| xdc.gpd | 2023-04-30 11:44 | 65K | |
| xdc.plt | 2023-04-30 11:44 | 3.3K | |
| xrd_pymatgen.md | 2025-08-13 16:52 | 5.8K | |
| xrd_pymatgen.py | 2023-10-23 17:08 | 7.4K | |
| xyz2cif.md | 2025-08-13 16:53 | 6.2K | |
| xyz2cif.py | 2023-10-24 13:47 | 4.8K | |