v0.6.0

What's Changed

• Original n4 approach (#367) @Gitdowski
• fix: correct N4 calculation (#366) @Gitdowski
• Doc/add citation details to readme (#350) @Atilaac
• Add random_seed parameter to get_structure_dict (#332) @Atilaac
• chore: weekly pixi.lock update (#331) @github-actions[bot]
• chore: weekly pixi.lock update (#318) @github-actions[bot]
• chore: weekly pixi.lock update (#308) @github-actions[bot]
• ci: cover flux subprocesses (#292) @ltalirz
• ci: measure coverage of api integration test (#291) @ltalirz

🚀 Features

• Feat/job settings endpoint (#371) @ltalirz
• feat: expose generalized dbx model in webapi (#370) @ltalirz
• feat: faster /trajectory endpoint (#368) @ltalirz
• feat: From O-X coordination to X-O (#360) @ltalirz
• perf: skip simulation history unless requested (#358) @ltalirz
• Feat/query running jobs (#356) @ltalirz
• Feat/frame average structure analysis (#353) @ltalirz
• docs: add AGENTS.md (#354) @ltalirz
• Feat/api cn cutoffs (#349) @Gitdowski
• Feat/per job summary (#344) @ltalirz
• Feat/seed for structure generation (#336) @Gitdowski
• add spherical-harmonic projected RDF for deformation and anisotropy analysis (#338) @Atilaac
• Feat/improve cte fluctuation workflow (#335) @Gitdowski
• improved error handling (#333) @Gitdowski
• Add frame-averaging and SEM support to analyses (#330) @Atilaac
• feat: add numba-accelerated pair-distance builder (#329) @Atilaac
• Feat/api new potentials (#328) @Gitdowski
• feat/du and teter potential (#302) @Gitdowski
• Add Yang2026 potential and protocol (#320) @Atilaac
• Support multi-valence oxide labels (#315) @Atilaac
• Feat add bmp harm and bmp shrm (#312) @Atilaac
• Feat add custom setting for potentials (#311) @Atilaac
• Feat add custom setting for potentials (#310) @Atilaac
• Add ElectrostaticsConfig and configurable potentials (#307) @Atilaac

🐛 Bug Fixes

• fix: uniform oxygen color in oxide-glass view (#365) @ltalirz
• fix: run tests on pixi.lock updates (#362) @ltalirz
• fix: improve structural analysis pane (#357) @ltalirz
• fix: make partial S(q) plot readable (#352) @ltalirz
• fix: resolve t_high before storing in DB (#351) @ltalirz
• fix: return cell with structure (#347) @ltalirz
• Fix/last frame and default n print (#341) @Gitdowski
• fix: openwebui-compatible schema (#334) @ltalirz
• Fix/fix docs (#325) @Atilaac
• fix: mcp server life time (#314) @ltalirz

📚 Documentation

• docs: save tokens in /mcp (#342) @ltalirz
• add references (#339) @Atilaac
• Docs/update release docs (#337) @ltalirz
• Fix/fix docs (#325) @Atilaac
• add better quality logo (#306) @Atilaac
• Update shik.md (#301) @Atilaac

🔧 Maintenance

• chore: weekly pixi.lock update (#363) @ltalirz
• chore: reorg to add amorphouspy.pipelines (#345) @ltalirz
• Add autolabeler and set PR permission to write (#313) @Atilaac
• Refine element classification; update tests/docs (#304) @Atilaac
• Remove primitiveness checks from ring collection (#300) @Atilaac
• Rename viscosity_std to viscosity_fit_residual (#295) @Atilaac

Full Changelog: v0.5.7...v0.6.0