Tutorial videos: planned list
還沒有人認領這個 Issue。
評估
- 難度
- 4/5
- 預估耗時
- 3-5 天
- 新手友好度
- 48/100
- Issue 類型
- 文件
- 描述清晰度
- 基本清楚
- 活躍度
- 活躍
- 技術堆疊
- linux
研究方向
Start with the planned tutorial list and its recording notes; the issue names no source files or tests to inspect. Pick one tutorial and use its listed topics to plan the recording and narration; done means producing a short English and Swedish video with separately recorded voice, subtitles, chapters, and the described title and end cards.
由索引模型根據 Issue 內容生成。
描述
Planned short tutorial videos (each a few minutes, English and Swedish, voice recorded separately, subtitles and chapters). Umbrella: #269.
Done
- Your first ORCA calculation with ECCE (water, optimisation and frequencies) — https://youtu.be/8NzblPZJl5k
- Your first calculation with ECCE-QM (water) — https://youtu.be/HQarL7NbFjk
- Loading a structure and calculating its energy (CO from the Teaching library, ECCE-QM single point)
Planned
- Drawing and building molecules. The Builder's tools on one molecule that needs all of them, e.g. trans-[PdCl2(PPh3)2]: metal and coordination shape, Cl and P, phenyl rings from the library, bond orders and metal bonds, Add Hydrogen, Clean, measuring, symmetry (Find, Sym. Clean). Uses the new Ligands folder. Record after #286 (element tool) is in.
- Adding codes and queues. Register Machines on localhost: finding programs, environment variables (e.g. NBO for ORCA/Gaussian), discovering and saving queues.
- Adding a remote HPC cluster. Register Machines for a cluster: connection, ssh keys, queue manager, a test submission.
- Looking at results. A tour of the Viewer: MOs and their composition, ESP surface, vibrations and the IR spectrum, charge schemes, dipole.
- Importing a calculation. Results from a job run outside ECCE.
- The example calculations. What ships with ECCE and what each example shows.
- Setting up ECCE for a class. A central server and student accounts, from the teacher's side.
- Comparing charge schemes. One molecule with Mulliken, Löwdin, CHELPG, Hirshfeld and NPA side by side.
- A tour of what ECCE can do (capability overview).
Recording notes: OBS canvas and output 1920×1200, conky stopped; the assembler crops the top bar and bottom panel, cuts idle stretches, and adds the title and end cards (design 2, centred). The narration script is written from the screen recording.
- 主要語言
- C
- 星號
- 10
- 分支
- 8
- 平均合併
- 2 小時 34 分鐘
- 30 天內合併 PR
- 3
環境準備
這個專案沒有提供開發容器、Dockerfile 或貢獻指南，環境需要你自己搭建：先看它的 README，通用步驟見我們的新手貢獻指南。
從這裡開始
- 先讀完整個 Issue，再讀專案的貢獻指南。
- 在 Issue 下留言說明你要接手 —— 這能避免兩個人做同樣的事。
- Fork 儲存庫，在一個分支上完成修改。
- 送出 Pull Request，並在描述裡引用這個 Issue 編號。
FriendsofECCE/ECCE 的其他 Issue
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難度 2/5 1-3 小時 新手友好度 70/100
FriendsofECCE/ECCE#529 ·
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bug
難度 2/5 1-3 小時 新手友好度 63/100
FriendsofECCE/ECCE#519 · 2 則留言 ·
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bug
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難度 2/5 1-3 小時 新手友好度 70/100
FriendsofECCE/ECCE#336 · 1 則留言 ·
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GROMACS Prepare: topologies for small molecules (alkanes and other organic liquids, docked ligands)未關閉enhancement
難度 4/5 3-5 天 新手友好度 45/100
FriendsofECCE/ECCE#540 ·
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