{"id":41718469,"url":"https://github.com/ifilot/atom-architect","last_synced_at":"2026-01-24T22:24:57.980Z","repository":{"id":244641032,"uuid":"815816993","full_name":"ifilot/atom-architect","owner":"ifilot","description":"Visualization and building tool for electronic structure calculations","archived":false,"fork":false,"pushed_at":"2026-01-23T20:39:21.000Z","size":2697,"stargazers_count":3,"open_issues_count":6,"forks_count":0,"subscribers_count":1,"default_branch":"master","last_synced_at":"2026-01-24T05:53:27.592Z","etag":null,"topics":["atoms","materials-modelling","outcar","poscar","vasp","visualization"],"latest_commit_sha":null,"homepage":"","language":"C++","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"lgpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/ifilot.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,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2024-06-16T08:50:52.000Z","updated_at":"2025-11-11T20:45:07.000Z","dependencies_parsed_at":"2024-06-16T10:50:26.850Z","dependency_job_id":"cb2c1a57-4ec4-48f7-b062-2250380e27db","html_url":"https://github.com/ifilot/atom-architect","commit_stats":null,"previous_names":["ifilot/atom-architect"],"tags_count":6,"template":false,"template_full_name":null,"purl":"pkg:github/ifilot/atom-architect","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ifilot%2Fatom-architect","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ifilot%2Fatom-architect/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ifilot%2Fatom-architect/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ifilot%2Fatom-architect/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/ifilot","download_url":"https://codeload.github.com/ifilot/atom-architect/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ifilot%2Fatom-architect/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":28738712,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-01-24T22:12:27.248Z","status":"ssl_error","status_checked_at":"2026-01-24T22:12:10.529Z","response_time":89,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.6:443 state=error: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"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":["atoms","materials-modelling","outcar","poscar","vasp","visualization"],"created_at":"2026-01-24T22:24:57.480Z","updated_at":"2026-01-24T22:24:57.975Z","avatar_url":"https://github.com/ifilot.png","language":"C++","funding_links":[],"categories":[],"sub_categories":[],"readme":"# Atom Architect\n\n![GitHub tag (latest SemVer)](https://img.shields.io/github/v/tag/ifilot/atom-architect?label=version)\n[![windows](https://github.com/ifilot/atom-architect/actions/workflows/windows.yml/badge.svg)](https://github.com/ifilot/atom-architect/actions/workflows/windows.yml)\n[![linux](https://github.com/ifilot/atom-architect/actions/workflows/linux.yml/badge.svg)](https://github.com/ifilot/atom-architect/actions/workflows/linux.yml)\n[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)\n\n![Screenshot of Atom Architect](img/atom-architect-screenshot.png)\n\n## Purpose\nAtom Architect is a VASP visualization and structure building tool. Its unique\nfeature is that atom placement is conducted in a relative fashion, i.e. with\nrespect to the existing atomic structure. This is especially useful for\ncatalysis purposes where atoms are typically placed at e.g. bridge, threefold or\nfourfold sites.\n\n## Downloads\n\n👉 [Download the latest release](https://github.com/ifilot/atom-architect/releases/latest)\n\n## Compilation\n\n### Windows\n\nCompilation for Windows is most easily done by installing Qt Creator and loading\nthe project file `atom-architect.pro`.\n\n### Linux Debian / Ubuntu\n\n### Qt5\n\nStart by installing all the required dependencies\n\n```bash\nsudo apt update \u0026\u0026 sudo apt install -y \\\nqtbase5-dev \\\nlibqt5charts5-dev \\\nlibgl1-mesa-dev \\\nbuild-essential \\\nlibglm-dev \\\nlibeigen3-dev \\\ncmake\n```\n\nCreate a new build folder, go to this folder, create the compilation and start\nthe compilation.\n\n```bash\nmkdir build\ncd build\ncmake ../\nmake -j\n```\n\nThis will generate the compilation scripts and compile Atom Architect. You can\nuse Atom Architect by running `./atom_architect` in your `build` folder. If\nyou wish to install Atom Architect on your system, you can run in your `build`\nfolder the following command.\n\n```bash\nsudo cp -v ./atom_architect /usr/local/bin/atom_architect\n```\n\n### Snellius\n\nTo compile for the Snellius infrastructure, we need to apply a small patch and\nload the modules that contains the libraries.\n\n```bash\nmodule load 2023 \\\nQt5/5.15.10-GCCcore-12.3.0 \\\nGLM/0.9.9.8-GCCcore-12.3.0 \\\nEigen/3.4.0-GCCcore-12.3.0\n```\n\nand apply the patch\n\n```bash\npatch -p1 \u003c snellius.patch\n```\n\nNext, compilation is fairly straightforward.\n\n```bash\nmkdir build\ncd build\ncmake ../\nmake -j\n```\n\n## Common problems\n\n\u003e I have troubles running `Atom Architect` remotely via MobaXterm.\n\nTry to enable direct rendering by setting the following environmental variable:\n\n```bash\nexport LIBGL_ALWAYS_INDIRECT=0\n```","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fifilot%2Fatom-architect","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fifilot%2Fatom-architect","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fifilot%2Fatom-architect/lists"}