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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,126 @@ | ||
| { | ||
| "cells": [ | ||
| { | ||
| "cell_type": "markdown", | ||
| "id": "c3e9e3e8", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "# Assignment: Normalizing Wavefunctions with Jupyter and Colab\n", | ||
| "\n", | ||
| "## 🎯 Objective¶\n", | ||
| "To practice Jupyter and Colab.\n", | ||
| "\n", | ||
| "## 📜 Instructions\n", | ||
| "1. Presuming you already have a GitHub account, [connect to GitHub Classroom](https://classroom.github.com/a/KxJcE3PU). You'll see \n", | ||
| "1. Click `Accept the assignment` and then update the page . You will see a new repository with the task \n", | ||
| "1. To complete the assignment you need to complete the Jupyter notebook **`Normalizing_eigenfunctions.ipynb`**." | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "markdown", | ||
| "id": "4c6dc3fd", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "## Editing a Jupyter Notebook from GitHub\n", | ||
| "\n", | ||
| "As described in the [notes](https://qchem.qc-edu.org/jupyter.html#), there are several ways to edit `.ipynb` files.\n", | ||
| "\n", | ||
| "### Using Google Colab (direct download and upload)\n", | ||
| "In this tutorial we will show how to work with Jupyter notebooks through Google Colab.\n", | ||
| "1. Download the `.zip` archive of the GitHub repo. In order to download it click `code` and `Download Zip` \n", | ||
| "1. When the repo is downloaded, go to [Google Colab](https://colab.research.google.com/) and add the `.ipynb` file from the repo: `File` $\\rightarrow$ `Upload notebook` \n", | ||
| "You will see this window \n", | ||
| "1. Upload the `.ipynb` file \n", | ||
| "\n", | ||
| "Voila! \n", | ||
| "\n", | ||
| "### Extension for Chromium Browsers.\n", | ||
| "If you use a browser like Google Chrome or Microsoft Edge, then you can use the [Open in Colab](https://chrome.google.com/webstore/detail/open-in-colab/iogfkhleblhcpcekbiedikdehleodpjo) browser extension. Then, \n", | ||
| "1. View the target Jupyter Notebook on Github\n", | ||
| "2. Click the extension to open the notebook in Colab.\n", | ||
| "3. When you do this, you may need to grant Google/Microsoft (Colab/GitHub) permission to interchange information." | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "markdown", | ||
| "id": "7b4df3c2", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "### Understanding the assignment\n", | ||
| "There is an instruction written in the notebook. All you need to do is to fill the code between \n", | ||
| "```\n", | ||
| "### START YOUR CODE HERE\n", | ||
| "...\n", | ||
| "### END YOUR CODE HERE\n", | ||
| "```\n", | ||
| "\n", | ||
| "\n", | ||
| "The purpose of this assignment is to compute the normalization constant for the particle-in-a-box. The particle-in-a-box is perhaps the simplest (bound) quantum system. You do not need to know much about the particle-in-a-box to complete this assignment however: referring to the relevant section of the [notes](https://qchem.qc-edu.org/ParticleIn1DBox.html#normalization-of-wavefunctions), one sees that one can choose $A_n = \\sqrt{\\frac{2}{a}}$.\n", | ||
| "\n", | ||
| "Once the code is completed, you can click the play button to evaluate the cell.\n", | ||
| "When you are satisfied with a code just click `File` $\\rightarrow$ `Save` and then `Download` $\\rightarrow$ `Download .ipynb`\n", | ||
| "" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "markdown", | ||
| "id": "89ae3117", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "## Submitting an assignment\n", | ||
| "\n", | ||
| "Submitting the assignment is breeze!\n", | ||
| "When you downloaded the final version of the file just go to your repo and click `Add file` $\\rightarrow$ `Upload files`; then upload your newly created file \n", | ||
| "Now commit your changes and click `Commit changes` " | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "markdown", | ||
| "id": "51b6c1b1", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "## Check the result\n", | ||
| "\n", | ||
| "In order to check whether your code passed tests all you need to do is go to `Actions`$\\rightarrow$ `Your commit` $\\rightarrow$ `Test with pytest`.   In most cases the tests will run automatically, and you do not need to explicitly invoke Pytest.\n", | ||
| "\n", | ||
| "If you see a green check mark: ***CONGRATULATIONS!*** you passed the assignment \n", | ||
| "\n", | ||
| "If there is a bug, then the following may occur:\n", | ||
| " \n", | ||
| "\n", | ||
| "Try to find your mistake but if you get stuck, contact me `@RichRick1`\n", | ||
| " " | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "markdown", | ||
| "id": "a15b3186", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "## Grading Scheme\n", | ||
| "Completing the assignment earns you an **S**. To earn an **S+**, explore whether there are other choices for the normalization constant that also pass the tests. Can you find a (correct) choice for the normalization constant that nonetheless fails the tests? How is this possible!" | ||
| ] | ||
| } | ||
| ], | ||
| "metadata": { | ||
| "kernelspec": { | ||
| "display_name": "Python 3 (ipykernel)", | ||
| "language": "python", | ||
| "name": "python3" | ||
| }, | ||
| "language_info": { | ||
| "codemirror_mode": { | ||
| "name": "ipython", | ||
| "version": 3 | ||
| }, | ||
| "file_extension": ".py", | ||
| "mimetype": "text/x-python", | ||
| "name": "python", | ||
| "nbconvert_exporter": "python", | ||
| "pygments_lexer": "ipython3", | ||
| "version": "3.9.7" | ||
| } | ||
| }, | ||
| "nbformat": 4, | ||
| "nbformat_minor": 5 | ||
| } |