| Name | Description | Last Modified | Size | MD5 |
| INSTALLATION_SCRIPTS | . | 2026.10.06 10::11::48 | . | . |
| SAMPLES | . | 2026.10.06 10::11::49 | . | . |
| __init__.py | . | 2022.07.25 04::39::38 | 83 | 0d8762fc57ffd773b06e9cea51cb25ef |
| basis_set_api.py | . | 2026.08.11 05::24::09 | 3845 | eed54a88fd855e16a00f71a58038c41d |
| bond_atlas.py | . | 2026.10.06 09::56::48 | 19242 | 3e949fd830105518e8457ef9ec7c3e76 |
| crystal_energies.py | . | 2026.10.06 09::56::48 | 19688 | 7d83cc10807bddb58c2178062665599e |
| cubes_maps.py | . | 2026.10.06 09::56::48 | 125491 | 9edc85bd7693a2047ed604200760f0f3 |
| def.txt | . | 2019.11.27 01::12::49 | 90 | 5f0aa4af2eb3900823b2145f5a27305d |
| elmo.py | . | 2026.06.26 07::56::47 | 8156 | 59ab00e980f941abf3e02e88c882f76c |
| elmo_specific.htm | . | 2026.06.26 07::56::47 | 12394 | 15a78dd7ea6b7a2416703c025381bae4 |
| fraghar.py | . | 2026.10.05 07::21::19 | 38680 | a908f526151f2e826db7fa62d1c1124d |
| h3-refine_nosphera2-1-button.htm | . | 2026.06.26 07::56::47 | 4925 | 87414043c73f76513df80593e23a12da |
| h3-refine_nosphera2-bondatlas.htm | . | 2026.10.06 09::56::48 | 111 | 01da7f36d16db0e76131766cf01384dd |
| h3-refine_nosphera2-extras.htm | . | 2026.06.26 07::56::47 | 616 | add99ae192b0abaa751483ebfb6750d1 |
| h3-refine_nosphera2-properties.htm | . | 2026.10.06 09::56::48 | 23669 | 823d733a6fab7600de8af793a7074738 |
| h3-refine_nosphera2-xcw.htm | . | 2026.10.05 07::21::19 | 107 | b29eefbb58bd3ac6e0c987ef4a76e9e8 |
| harp.htm | . | 2025.04.01 06::02::51 | 1196 | e4bbde5c2e6f01381236c189bd204006 |
| harp.md | . | 2025.04.01 06::02::51 | 557 | eea4a6e753582b53669552d0be7ddcc9 |
| hybrid_gui.py | . | 2026.10.06 09::56::48 | 56806 | 64549d9393c3c3b5b08633347c68ba94 |
| nosphera2.md | . | 2026.10.05 07::21::19 | 25725 | 02d302efcfa8cd6f4f4e2af790d0005d |
| nosphera2.phil | . | 2026.10.06 09::56::48 | 12643 | 4cfd1b7593f73d98a17989b051eaaaa3 |
| nosphera2.py | . | 2026.10.06 09::56::48 | 90601 | 4f86b1e8f7ee6808edf766c9811b74a4 |
| nosphera2_refine_interface.htm | . | 2026.10.06 09::56::48 | 969 | 720cdb3fece981dfb22caf98ebda0d6e |
| psi4-launch.py | . | 2026.08.11 05::24::09 | 3403 | 9165947554bef81f150986b8f3ac0139 |
| psi4.py | . | 2025.10.20 12::47::11 | 2620 | e7b4d35fad738411fa61c770dedfc9b1 |
| pyscf.py | . | 2025.06.16 09::10::54 | 2629 | 0f4d4bd45d1e3c3f8f5429abb524dd3d |
| tscb_rename.py | . | 2026.10.05 07::21::19 | 7617 | 6f54d5c12e51ebaaaac5a51443ccb6f8 |
| utilities.py | . | 2026.10.06 09::56::48 | 78009 | 616ac305ae20c329446b8b57faff0574 |
| wfn_job.py | . | 2026.10.06 09::56::48 | 89260 | af8caaec139b704f58ce0c2af015c9a7 |
| wsl_conda.py | . | 2026.08.11 05::24::09 | 12441 | 1dac3099e577d345b6114acd3ac59726 |
| xcw.py | . | 2026.10.06 09::56::48 | 11634 | 3eda3a7c09d2195da67179c0f65fe81e |
| xharpy.py | . | 2026.06.26 07::56::47 | 5101 | d08c9868dbcd207dca459b0e71168a25 |
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