{"id":24687381,"url":"https://github.com/danporter/xas-simulator","last_synced_at":"2026-05-19T04:05:14.851Z","repository":{"id":272566062,"uuid":"849323678","full_name":"DanPorter/xas-simulator","owner":"DanPorter","description":"XAS simulator plugin for nexpy","archived":false,"fork":false,"pushed_at":"2025-03-17T16:46:02.000Z","size":1062,"stargazers_count":0,"open_issues_count":2,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-03-17T17:44:50.139Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/DanPorter.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2024-08-29T11:50:49.000Z","updated_at":"2025-03-17T16:46:05.000Z","dependencies_parsed_at":"2025-01-15T10:24:52.615Z","dependency_job_id":"de400348-1d6d-485b-9a35-1ddaf5a6a409","html_url":"https://github.com/DanPorter/xas-simulator","commit_stats":null,"previous_names":["danporter/xas-simulator"],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DanPorter%2Fxas-simulator","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DanPorter%2Fxas-simulator/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DanPorter%2Fxas-simulator/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DanPorter%2Fxas-simulator/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/DanPorter","download_url":"https://codeload.github.com/DanPorter/xas-simulator/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":244874718,"owners_count":20524581,"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":[],"created_at":"2025-01-26T16:19:24.861Z","updated_at":"2026-05-19T04:05:09.782Z","avatar_url":"https://github.com/DanPorter.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# xas-simulator\n\n[Nexpy](https://github.com/nexpy/nexpy) plugin to simulate XAS spectra\n\nIt uses [Quanty](https://www.quanty.org/) to do multiplet calculations under different approximations.\n\n### Installation\nRequries: **Quanty**, **python \u003e3.10**, *nexpy*, *HdfMap*, *tabulate*\n\n**Quanty** must be downloaded from [www.quanty.org](https://www.quanty.org/), which requires an email sign-on.\n\n```bash\n$ python -m pip install nexpy hdfmap\n$ git clone https://github.com/DanPorter/xas-simulator.git\n$ cd xas-simulator\n$ python -m pip install .\n```\n\n### Run\n```bash\n$ nexpy\n```\n\n### Development\n```bash\npython -m pip uninstall xas_simulator\npython -m pip install .\n```\n\n### Nexpy problems\nif you run Nexpy and nothing happens...\n```bash\npython -c \"from nexpy.nexpygui import main; main()\"\n```\nYou may need to install Qt:\n```bash\nconda install PyQt\n```\n\nif Nexpy opens and the plugin are not available... good luck!","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fdanporter%2Fxas-simulator","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fdanporter%2Fxas-simulator","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fdanporter%2Fxas-simulator/lists"}