{"id":19722417,"url":"https://github.com/tinaccil/be_prefactor","last_synced_at":"2026-05-09T23:50:08.447Z","repository":{"id":181997490,"uuid":"500765676","full_name":"TinacciL/BE_prefactor","owner":"TinacciL","description":"TPD and prefactor BE functions and library","archived":false,"fork":false,"pushed_at":"2023-12-24T15:19:30.000Z","size":1082,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-01-10T16:25:59.867Z","etag":null,"topics":["adsorption","astrochemistry","chemistry","molecule","quantum-chemistry","surface","thermodynamics"],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/TinacciL.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null}},"created_at":"2022-06-07T09:04:08.000Z","updated_at":"2023-12-24T15:32:42.000Z","dependencies_parsed_at":null,"dependency_job_id":"896db128-e3f2-4f21-9ccb-508f48924f52","html_url":"https://github.com/TinacciL/BE_prefactor","commit_stats":{"total_commits":10,"total_committers":2,"mean_commits":5.0,"dds":"0.19999999999999996","last_synced_commit":"767920e8b3926ac4dd66f4e4d37d60c0bd5b0890"},"previous_names":["tinaccil/be_prefactor"],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/TinacciL%2FBE_prefactor","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/TinacciL%2FBE_prefactor/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/TinacciL%2FBE_prefactor/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/TinacciL%2FBE_prefactor/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/TinacciL","download_url":"https://codeload.github.com/TinacciL/BE_prefactor/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":241044412,"owners_count":19899505,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["adsorption","astrochemistry","chemistry","molecule","quantum-chemistry","surface","thermodynamics"],"created_at":"2024-11-11T23:17:18.131Z","updated_at":"2026-05-09T23:50:03.406Z","avatar_url":"https://github.com/TinacciL.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# TPD and prefactor BE\nThis is a Python 3.8 script that permits to simulate TPD spectra and computed the BE prefactor.\n\n## Installation\n\nThis program used a python3 interface, to run this code you must install on your machine this list of packages:\n\n* ```numpy```\n* ```pandas```\n* ```scipy```\n* ```ase```\n* ```matplotlib```\n\n## Script Structure\nThe presentation of all the funciton and code are inside the ```TPD_BE_examples_scipts.ipynb``` ipython notebook.\n\nThe TPD script is the ```TPD.py``` file.\n\nInside the ```lib.py``` file are present all the functions. If you want to ran the ```TPD_BE_examples_scipts.ipynb``` or ```TPD.py``` files on your PC you need to have the ```lib.py``` file in the same directory were you ranning the codes.\n\n## Associated publications\nPlease reffer to the following publication to cite our work or retrieve the info:\n\n## Acknowledgments\nThis project has received funding within the European Union’s Horizon 2020 research and innovation programme from the Marie Sklodowska-Curie for the project ”Astro-Chemical Origins” (ACO), grant agreement No 811312.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftinaccil%2Fbe_prefactor","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Ftinaccil%2Fbe_prefactor","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftinaccil%2Fbe_prefactor/lists"}