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Tutorial videos: planned list

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Evaluación

Dificultad
4/5
Tiempo estimado
3-5 días
Aptitud para principiantes
48/100
Tipo de issue
Documentación
Claridad
Bastante claro
Estado de actividad
Activo
Stack tecnológico
linux
Área
documentation

Línea de trabajo

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.

Escrito por el modelo de indexación a partir del texto del issue.

Descripción

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

  1. 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.
  2. Adding codes and queues. Register Machines on localhost: finding programs, environment variables (e.g. NBO for ORCA/Gaussian), discovering and saving queues.
  3. Adding a remote HPC cluster. Register Machines for a cluster: connection, ssh keys, queue manager, a test submission.
  4. Looking at results. A tour of the Viewer: MOs and their composition, ESP surface, vibrations and the IR spectrum, charge schemes, dipole.
  5. Importing a calculation. Results from a job run outside ECCE.
  6. The example calculations. What ships with ECCE and what each example shows.
  7. Setting up ECCE for a class. A central server and student accounts, from the teacher's side.
  8. Comparing charge schemes. One molecule with Mulliken, Löwdin, CHELPG, Hirshfeld and NPA side by side.
  9. 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.

Lenguaje dominante
C
Estrellas
10
Forks
8
Merge medio
21 min
PR fusionados (30 d)
1

Preparar el entorno

Este proyecto no incluye contenedor de desarrollo, Dockerfile ni guía de contribución, así que la configuración corre por tu cuenta: empieza por su README y consulta nuestra guía para la primera contribución para los pasos generales.

Primeros pasos

  1. Lee el issue completo y luego la guía de contribución del proyecto.
  2. Comenta en el issue que vas a ocuparte — evita que dos personas hagan lo mismo.
  3. Haz un fork del repositorio y trabaja en una rama.
  4. Abre un pull request que haga referencia al número del issue.

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