Adsorber
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1.10 | Adsorber-1.10-py3-none-any.whl |
Wheel Details
Project: | Adsorber |
Version: | 1.10 |
Filename: | Adsorber-1.10-py3-none-any.whl |
Download: | [link] |
Size: | 67768 |
MD5: | 94458a83a18645b97dba7a6465bda6e6 |
SHA256: | 9fd1906ae33ee237e19692d47a85c01671435c36fa73cb94b979d826ec32a819 |
Uploaded: | 2021-12-30 03:31:43 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.37.1) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
---|---|---|
Adsorber/__init__.py | sha256=9q4P6mOdpoiT_A8Rp5zOg54j61yiJ9jXAsSAhkamzlg | 5440 |
Adsorber/Adsorber/Adsorber_Program.py | sha256=W8fbFF0P1gdBaqsXLUuHtmb_nJu9qJXrvLDLI3B4wo4 | 12901 |
Adsorber/Adsorber/Part_A_Create_non_adsorbed_VASP_files.py | sha256=IkvfTrPENmxeIHTGcMezyiI6n79x6OtdRaXi-NkKEF8 | 1508 |
Adsorber/Adsorber/Part_B_adsorb_single_species_to_cluster.py | sha256=i1GxAQEJ9rUQ5t2CvzQ8-2IWdOUn9JFHZFa37uahZx4 | 9729 |
Adsorber/Adsorber/Part_B_automated_rotation_methods.py | sha256=09ux0MWJS5vxO2Lg-3L3qbdcxYQpHOh9MVUvSLVV1Cs | 7775 |
Adsorber/Adsorber/Part_B_get_places_to_bind_to.py | sha256=eoaQF3BdB8F5pRe-74tR_h1PkOKEl-AUvfe3P7iHL20 | 11365 |
Adsorber/Adsorber/Part_B_neighbour_list.py | sha256=TFEzaWEeLwXipSVCiikkzvjxz0_wd2l-WiyKY0lo3BY | 1109 |
Adsorber/Adsorber/Part_B_storage_file.py | sha256=snQIVC7rmnBGw8jW-zIsdZDNEfGSaY7ok-I6S6f7GOE | 3119 |
Adsorber/Adsorber/Part_C_Create_adsorbed_VASP_Files.py | sha256=3PVK3eNuYLgSCv0YGjIRdh-OMeE5i_vftfVTqTe5Vyk | 9213 |
Adsorber/Adsorber/coulomb_potential.py | sha256=3vqE2NhV8qZnLzOWB9SFOeNED9njlnLfT3wQQ8k3Tg4 | 2856 |
Adsorber/Adsorber/import_settings_into_adsorber.py | sha256=z2_9xespwnVI3ppgJ8pz-eziVx4RDAGahJQHePYk0M0 | 7611 |
Adsorber/Adsorber/other_methods.py | sha256=KgSjnn_KV2oxEfyWs1vtdEV-9vmsqWJ5gQx8RdcthOU | 1328 |
Adsorber/Adsorber/repulsive_LJ_Calculator.py | sha256=Hnjnmi_8geDO93wyF97i588qaGwhMBr_r3CaMGoKFUA | 9317 |
Adsorber/Subsidiary_Programs/Copy_Files_from_Folder_B_to_Folder_C.py | sha256=X2RBukB_XKIVz8A5BllBtZxM0BqxPsbCqmARr99_OtY | 5636 |
Adsorber/Subsidiary_Programs/Part_D_Methods.py | sha256=UDBMFFbc7etRGYz4aCS-0_346GXmOdkcQHYWKJ61rH4 | 19629 |
Adsorber/Subsidiary_Programs/Run_Adsorber_Part_D_gather_information.py | sha256=dOa0dd1ZKTZtj37A-2rqVycxUfVUrMVcRmOKoe4Ut78 | 22557 |
Adsorber/Subsidiary_Programs/Run_Adsorber_Tidy_Finished_Jobs.py | sha256=I0KW2bWaDlD-Ac6JETlkg8zUO5r5fyr6Y-0gwUYWY_8 | 1929 |
Adsorber/Subsidiary_Programs/Run_Adsorber_compare_systems_with_same_binding.py | sha256=Tsu0pW71QWsDYCphdUfGWXbouSPVW7yDtIN3XAxFs_0 | 8466 |
Adsorber/Subsidiary_Programs/Run_Adsorber_determine_unconverged_VASP_jobs.py | sha256=JI5lz99Gfe5v8n6oGE8jmHM_DQMNq0zortTJ_1Hf1v0 | 3161 |
Adsorber/Subsidiary_Programs/Run_Adsorber_gather_traj_files.py | sha256=C-jan0yQu_kijZHK-AJ6Dj1T7LBs8ezrLyjksNxqcMQ | 3441 |
Adsorber/Subsidiary_Programs/Run_Adsorber_make_vacuum.py | sha256=0f2sYfQkf_dK409iwny_xr8tj5FXRis6KHNUjhz7h_E | 1149 |
Adsorber/Subsidiary_Programs/Run_Adsorber_only_show_submitSL_slurm.py | sha256=6Zh7FuXi4Y16SQ97se3uJc9_YYghQEl38wCfDJtlsL0 | 1916 |
Adsorber/Subsidiary_Programs/Run_Adsorber_prepare_unconverged_VASP_jobs.py | sha256=mdZ6VZwndyzIKztYf_sAgFY9Vs_gfpgEaGCFZzWtprY | 6552 |
Adsorber/Subsidiary_Programs/Run_Adsorber_submitSL_slurm.py | sha256=2hRM254WE5DWFy_kaaxFO1rFMeTYgQdqSBM_meL0DIM | 10988 |
Adsorber/Subsidiary_Programs/adsorbate_atom.py | sha256=-RGRzKY_U3Oy8jGp4mOmDw8QsD7_aqzZzm_PewA9qF4 | 699 |
Adsorber/Subsidiary_Programs/prepare_jobs_scripts/prepare_unconverged_VASP_jobs_from_folders.py | sha256=EBUCZ1aiN_y9uNuJ9-CZ9VQh55Sn-wetGd_J1ZZAsWg | 736 |
Adsorber/Subsidiary_Programs/prepare_jobs_scripts/prepare_unconverged_VASP_jobs_from_textfile.py | sha256=pPdolmcOi5hza11s_35_UHmGbtrIyO2Xf1RjJtre4fw | 1558 |
Adsorber/Subsidiary_Programs/prepare_jobs_scripts/prepare_unconverged_VASP_jobs_methods.py | sha256=l8IFJ7nZLkkc2mkayn3uUDfbUYrwXEOpUxYOtlege3I | 3944 |
Adsorber-1.10.dist-info/LICENSE | sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8 | 34523 |
Adsorber-1.10.dist-info/METADATA | sha256=tJwK-wdTMUizllkQbQq79LkvFaDHjXc5IDlRTslyTkU | 6044 |
Adsorber-1.10.dist-info/WHEEL | sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA | 92 |
Adsorber-1.10.dist-info/top_level.txt | sha256=1C9NGZnaQ8AMhAU-yxphfigqEzEseV8HR_UMVVBzodM | 106 |
Adsorber-1.10.dist-info/RECORD | — | — |
top_level.txt
Adsorber
Adsorber/Adsorber
Adsorber/Subsidiary_Programs
Adsorber/Subsidiary_Programs/prepare_jobs_scripts