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.buildinfo

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+# Sphinx build info version 1
+# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
+config: 21843f7f3001092ed70092339d9fa442
+tags: 645f666f9bcd5a90fca523b33c5a78b7

_sources/intro.md

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+Workshop Template
+======================================
+
+This is a MolSSI template for creating a Jupyter book.

_sources/sample.ipynb

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+{
+ "cells": [
+  {
+   "attachments": {},
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Sample Notebook\n",
+    "\n",
+    "```{admonition} Overview\n",
+    ":class: overview\n",
+    "\n",
+    "Questions:\n",
+    "\n",
+    "* What format does MolSSI use for Jupyter books?\n",
+    "\n",
+    "Objectives:\n",
+    "\n",
+    "* Use custom admonitions\n",
+    "\n",
+    "```\n",
+    "\n",
+    "The MolSSI Jupyter book template contains many custom admonitions that you should use when developing your notebook.  To make an overview plot, use the following syntax:\n",
+    "\n",
+    "````\n",
+    "\n",
+    "```{admonition} Overview\n",
+    ":class: overview\n",
+    "\n",
+    "Questions:\n",
+    "\n",
+    "* What format does MolSSI use for Jupyter books?\n",
+    "\n",
+    "Objectives:\n",
+    "\n",
+    "* Use custom admonitions\n",
+    "\n",
+    "```\n",
+    "````\n",
+    "\n",
+    "We also have custom exercise admonitions:\n",
+    "\n",
+    "``````{admonition} Exercise\n",
+    ":class: exercise\n",
+    "\n",
+    "This is an exercise\n",
+    "\n",
+    "`````{admonition} Solution\n",
+    ":class: solution dropdown\n",
+    "\n",
+    "This is a solution\n",
+    "\n",
+    "`````\n",
+    "``````\n",
+    "\n",
+    "Syntax:\n",
+    "\n",
+    "```````\n",
+    "``````{admonition} Exercise\n",
+    ":class: exercise\n",
+    "\n",
+    "This is an exercise\n",
+    "\n",
+    "`````{admonition} Solution\n",
+    ":class: solution dropdown\n",
+    "\n",
+    "This is a solution\n",
+    "\n",
+    "`````\n",
+    "``````\n",
+    "```````\n",
+    "\n",
+    "\n",
+    "```{admonition} Key Points\n",
+    ":class: key\n",
+    "\n",
+    "* Key Point 1\n",
+    "\n",
+    "* Key Point 2\n",
+    "\n",
+    "```\n",
+    "\n",
+    "Syntax:\n",
+    "\n",
+    "````\n",
+    "```{admonition} Key Points\n",
+    ":class: key\n",
+    "\n",
+    "* Key Point 1\n",
+    "\n",
+    "* Key Point 2\n",
+    "\n",
+    "```\n",
+    "````\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "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": "3.11.3"
+  },
+  "orig_nbformat": 4
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}

_sources/sample2.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Sample Notebook 2\n",
+    "\n",
+    "It might be more transferable to use colored divs for special sections.\n",
+    "\n",
+    "Blue for overview\n",
+    "<div class=\"alert alert-block alert-info\"> \n",
+    "<h2>Overview</h2>\n",
+    "\n",
+    "<strong>Questions:</strong>\n",
+    "* How do I use colored divs in a notebook?\n",
+    "\n",
+    "<strong>Objectives:</strong>\n",
+    "* Learn how to use colored divs in a notebook.\n",
+    "\n",
+    "</div>\n",
+    "\n",
+    "Green for information\n",
+    "<div class=\"alert alert-block alert-success\">\n",
+    "<h3>Information</h3>\n",
+    "This is some useful information.\n",
+    "\n",
+    "```python\n",
+    "print(\"Hello, World!\")\n",
+    "```\n",
+    "</div>\n",
+    "\n",
+    "<div class=\"alert alert-block alert-warning\">\n",
+    "<h3>Exercise</h3>\n",
+    "Orange for exercises.\n",
+    "</div>\n",
+    "\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [
+    {
+     "ename": "",
+     "evalue": "",
+     "output_type": "error",
+     "traceback": [
+      "\u001b[1;31mFailed to start the Kernel. \n",
+      "\u001b[1;31mUnable to start Kernel 'Julia 1.10.4' due to a timeout waiting for the ports to get used. \n",
+      "\u001b[1;31mView Jupyter <a href='command:jupyter.viewOutput'>log</a> for further details."
+     ]
+    }
+   ],
+   "source": [
+    "print(\"Hello, World!\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "jupyter-book-2024",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "name": "python",
+   "version": "3.12.7"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}

_sources/setup.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "collective-theorem",
+   "metadata": {},
+   "source": [
+    "# Set Up\n",
+    "\n",
+    "This page should give directions for setting up the software environment for the lessons. \n",
+    "\n",
+    "## Installing Julia\n",
+    "Put Directions for installing Julia here.\n",
+    "\n",
+    "## Obtain lesson materials\n",
+    "Give directions for obtaining any lesson materials here.\n",
+    "These might be pre-filled notebooks or files to download.\n"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "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": "3.8.6"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}

_sphinx_design_static/design-tabs.js

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+// @ts-check
+
+// Extra JS capability for selected tabs to be synced
+// The selection is stored in local storage so that it persists across page loads.
+
+/**
+ * @type {Record<string, HTMLElement[]>}
+ */
+let sd_id_to_elements = {};
+const storageKeyPrefix = "sphinx-design-tab-id-";
+
+/**
+ * Create a key for a tab element.
+ * @param {HTMLElement} el - The tab element.
+ * @returns {[string, string, string] | null} - The key.
+ *
+ */
+function create_key(el) {
+  let syncId = el.getAttribute("data-sync-id");
+  let syncGroup = el.getAttribute("data-sync-group");
+  if (!syncId || !syncGroup) return null;
+  return [syncGroup, syncId, syncGroup + "--" + syncId];
+}
+
+/**
+ * Initialize the tab selection.
+ *
+ */
+function ready() {
+  // Find all tabs with sync data
+
+  /** @type {string[]} */
+  let groups = [];
+
+  document.querySelectorAll(".sd-tab-label").forEach((label) => {
+    if (label instanceof HTMLElement) {
+      let data = create_key(label);
+      if (data) {
+        let [group, id, key] = data;
+
+        // add click event listener
+        // @ts-ignore
+        label.onclick = onSDLabelClick;
+
+        // store map of key to elements
+        if (!sd_id_to_elements[key]) {
+          sd_id_to_elements[key] = [];
+        }
+        sd_id_to_elements[key].push(label);
+
+        if (groups.indexOf(group) === -1) {
+          groups.push(group);
+          // Check if a specific tab has been selected via URL parameter
+          const tabParam = new URLSearchParams(window.location.search).get(
+            group
+          );
+          if (tabParam) {
+            console.log(
+              "sphinx-design: Selecting tab id for group '" +
+                group +
+                "' from URL parameter: " +
+                tabParam
+            );
+            window.sessionStorage.setItem(storageKeyPrefix + group, tabParam);
+          }
+        }
+
+        // Check is a specific tab has been selected previously
+        let previousId = window.sessionStorage.getItem(
+          storageKeyPrefix + group
+        );
+        if (previousId === id) {
+          // console.log(
+          //   "sphinx-design: Selecting tab from session storage: " + id
+          // );
+          // @ts-ignore
+          label.previousElementSibling.checked = true;
+        }
+      }
+    }
+  });
+}
+
+/**
+ *  Activate other tabs with the same sync id.
+ *
+ * @this {HTMLElement} - The element that was clicked.
+ */
+function onSDLabelClick() {
+  let data = create_key(this);
+  if (!data) return;
+  let [group, id, key] = data;
+  for (const label of sd_id_to_elements[key]) {
+    if (label === this) continue;
+    // @ts-ignore
+    label.previousElementSibling.checked = true;
+  }
+  window.sessionStorage.setItem(storageKeyPrefix + group, id);
+}
+
+document.addEventListener("DOMContentLoaded", ready, false);