ADD COMMENTS

Author: JaGeo

tutorials/grueneisen_workflow.ipynb

@@ -1,9 +1,17 @@
 {
  "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "This part is needed for the execution in the notebook.\n"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "0",
+   "id": "1",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -22,10 +30,18 @@
     "}"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "2",
+   "metadata": {},
+   "source": [
+    "Let's load all required Makers."
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "1",
+   "id": "3",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -38,7 +54,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "2",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -58,7 +74,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "3",
+   "id": "5",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -96,7 +112,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "4",
+   "id": "6",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -132,7 +148,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5",
+   "id": "7",
    "metadata": {},
    "source": [
     "Then one can use the `GruneisenMaker` to generate a `Flow`."
@@ -141,7 +157,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "6",
+   "id": "8",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -166,17 +182,25 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "7",
+   "id": "9",
    "metadata": {},
    "outputs": [],
    "source": [
     "flow.draw_graph().show()"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "10",
+   "metadata": {},
+   "source": [
+    "We can then run the code with \"mock_vasp\"."
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8",
+   "id": "11",
    "metadata": {
     "jupyter": {
      "is_executing": true
@@ -194,10 +218,18 @@
     "    )"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "12",
+   "metadata": {},
+   "source": [
+    "Let's then analyze outputs from the workflow."
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "9",
+   "id": "13",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -217,7 +249,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "10",
+   "id": "14",
    "metadata": {},
    "outputs": [],
    "source": [