ovito-evidence-postprocessing
GitHub针对LAMMPS轨迹的原子后处理技能，涵盖OVITO管线构建、渲染及证据导出。用于区分原生输出与替代方案，确保分子动力学结果的可视化准确性与可追溯性。
触发场景
安装
npx skills add Cai-aa/CAE-Agent-Hub --skill ovito-evidence-postprocessing -g -y
SKILL.md
Frontmatter
{
"name": "ovito-evidence-postprocessing",
"description": "Evidence-first OVITO atomistic postprocessing for LAMMPS trajectories and other particle data, including pipeline construction, modifiers, coloring, clipping, camera setup, images, animations, tables, and state files. Use when Codex must inspect or present molecular-dynamics results while distinguishing OVITO Basic GUI availability from ovitos\/external Python automation and separating rendering evidence from upstream solver evidence."
}
OVITO Evidence Postprocessing
OVITO explains and renders atomistic data; it does not prove that the upstream simulation was physically correct.
Start
ai-cae-toolbox context-scope --solver ovito
ai-cae-toolbox bridge-plan --solver ovito --objective "<objective>"
ai-cae-toolbox create-run --solver ovito --case <case-name> --objective "<objective>"
ai-cae-toolbox write-smoke-template --solver ovito --run-dir <run-dir>
Use ovito_check_installation before scripting. OVITO Basic may include
ovito.exe but not ovitos; configure a compatible external Python with the
OVITO package when batch scripting is required.
Build the Pipeline
Record input trajectory, frame range, particle properties, modifiers and their parameters, selection/deletion rules, color mapping, clipping plane, camera, render size, background, and export interval.
For strain or defect visualizations, record the reference configuration, neighbor cutoff, crystal structure, and modifier assumptions. Read references/render-evidence.md.
Finish
Export the pipeline script, PNG/MP4, numeric table when available, and a short caption defining every color and scalar range. State whether the output came from OVITO, a compatible Python implementation, or another plotting library. Never label a substitute plot as native OVITO output.
版本历史
- fc7b93e 当前 2026-08-16 09:00
