2 files changed, 416 insertions, 0 deletions
diff --git a/sample_notebooks/AjayTheetla/Chapter_1.ipynb b/sample_notebooks/AjayTheetla/Chapter_1.ipynb
new file mode 100755
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+{
+ "metadata": {
+  "name": "",
+  "signature": "sha256:628a3355094b4b8d081efb2e248a73ea4bad0a7cd7bbbadfae2b2aceebecc70b"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+  {
+   "cells": [
+    {
+     "cell_type": "heading",
+     "level": 1,
+     "metadata": {},
+     "source": [
+      "Chapter 1 - Molecular distances"
+     ]
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 1 - pg 5"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the Angle required\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "l=0.71 *10**-8 #cm\n",
+      "n=200. #lines/cm\n",
+      "v=0.00145 #radian\n",
+      "#calculations\n",
+      "d=1/n\n",
+      "phi2=2*l/d +v**2\n",
+      "phi=math.sqrt(phi2)\n",
+      "#results\n",
+      "print '%s %.2e %s' %('Angle required =',phi,'radian')\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Angle required = 2.22e-03 radian\n"
+       ]
+      }
+     ],
+     "prompt_number": 1
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2 - pg 6"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the Interplanar distance\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "angle=37.25 #degrees\n",
+      "l=1.539 #A\n",
+      "n=1. #order\n",
+      "#calculations\n",
+      "d=n*l/(2*math.sin(angle/180.*math.pi))\n",
+      "#results\n",
+      "print '%s %.3f %s' %(\"Interplanar distance =\",d,\"A\")\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Interplanar distance = 1.271 A\n"
+       ]
+      }
+     ],
+     "prompt_number": 2
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 5 - pg 9"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the ratio of radii\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "r1=math.sqrt(3.)\n",
+      "r2=1\n",
+      "#calculations\n",
+      "ratio=r1-r2\n",
+      "#results\n",
+      "print '%s %.3f' %('Ratio of radii =',ratio)\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Ratio of radii = 0.732\n"
+       ]
+      }
+     ],
+     "prompt_number": 3
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 6 - pg 10"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the Avagadro number\n",
+      "#Initialization of variables\n",
+      "d=2.64 #g/cc\n",
+      "l=4.016*10**-8 #cm\n",
+      "n=4\n",
+      "M=25.94 #g/mol\n",
+      "#calculations\n",
+      "m=d*l**3 /n\n",
+      "N0=M/m\n",
+      "#results\n",
+      "print '%s %.3e %s' %(\"Avagadro number =\",N0,\" molecule/mol\")\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Avagadro number = 6.068e+23  molecule/mol\n"
+       ]
+      }
+     ],
+     "prompt_number": 4
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 10 - pg 15"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the angle required\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "import numpy\n",
+      "A=numpy.array([-1, -1, -1 ])\n",
+      "B=numpy.array([1, 1, -1])\n",
+      "#calculations\n",
+      "Ad=math.sqrt(1+1+1)\n",
+      "Bd=math.sqrt(1+1+1)\n",
+      "dot=numpy.dot(A,B) /(Ad*Bd) \n",
+      "theta=math.acos(dot) *180./math.pi\n",
+      "#results\n",
+      "print '%s %.2f %s' %(\"Angle =\",theta,\" degrees\")\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Angle = 109.47  degrees\n"
+       ]
+      }
+     ],
+     "prompt_number": 5
+    }
+   ],
+   "metadata": {}
+  }
+ ]
+}
+\ No newline at end of file
diff --git a/sample_notebooks/AjayTheetla/Chapter_1_1.ipynb b/sample_notebooks/AjayTheetla/Chapter_1_1.ipynb
new file mode 100755
index 00000000..328727e3
--- /dev/null
+++ b/sample_notebooks/AjayTheetla/Chapter_1_1.ipynb
@@ -0,0 +1,208 @@
+{
+ "metadata": {
+  "name": "",
+  "signature": "sha256:628a3355094b4b8d081efb2e248a73ea4bad0a7cd7bbbadfae2b2aceebecc70b"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+  {
+   "cells": [
+    {
+     "cell_type": "heading",
+     "level": 1,
+     "metadata": {},
+     "source": [
+      "Chapter 1 - Molecular distances"
+     ]
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 1 - pg 5"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the Angle required\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "l=0.71 *10**-8 #cm\n",
+      "n=200. #lines/cm\n",
+      "v=0.00145 #radian\n",
+      "#calculations\n",
+      "d=1/n\n",
+      "phi2=2*l/d +v**2\n",
+      "phi=math.sqrt(phi2)\n",
+      "#results\n",
+      "print '%s %.2e %s' %('Angle required =',phi,'radian')\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Angle required = 2.22e-03 radian\n"
+       ]
+      }
+     ],
+     "prompt_number": 1
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2 - pg 6"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the Interplanar distance\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "angle=37.25 #degrees\n",
+      "l=1.539 #A\n",
+      "n=1. #order\n",
+      "#calculations\n",
+      "d=n*l/(2*math.sin(angle/180.*math.pi))\n",
+      "#results\n",
+      "print '%s %.3f %s' %(\"Interplanar distance =\",d,\"A\")\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Interplanar distance = 1.271 A\n"
+       ]
+      }
+     ],
+     "prompt_number": 2
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 5 - pg 9"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the ratio of radii\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "r1=math.sqrt(3.)\n",
+      "r2=1\n",
+      "#calculations\n",
+      "ratio=r1-r2\n",
+      "#results\n",
+      "print '%s %.3f' %('Ratio of radii =',ratio)\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Ratio of radii = 0.732\n"
+       ]
+      }
+     ],
+     "prompt_number": 3
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 6 - pg 10"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the Avagadro number\n",
+      "#Initialization of variables\n",
+      "d=2.64 #g/cc\n",
+      "l=4.016*10**-8 #cm\n",
+      "n=4\n",
+      "M=25.94 #g/mol\n",
+      "#calculations\n",
+      "m=d*l**3 /n\n",
+      "N0=M/m\n",
+      "#results\n",
+      "print '%s %.3e %s' %(\"Avagadro number =\",N0,\" molecule/mol\")\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Avagadro number = 6.068e+23  molecule/mol\n"
+       ]
+      }
+     ],
+     "prompt_number": 4
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 10 - pg 15"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "#calculate the angle required\n",
+      "#Initialization of variables\n",
+      "import math\n",
+      "import numpy\n",
+      "A=numpy.array([-1, -1, -1 ])\n",
+      "B=numpy.array([1, 1, -1])\n",
+      "#calculations\n",
+      "Ad=math.sqrt(1+1+1)\n",
+      "Bd=math.sqrt(1+1+1)\n",
+      "dot=numpy.dot(A,B) /(Ad*Bd) \n",
+      "theta=math.acos(dot) *180./math.pi\n",
+      "#results\n",
+      "print '%s %.2f %s' %(\"Angle =\",theta,\" degrees\")\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Angle = 109.47  degrees\n"
+       ]
+      }
+     ],
+     "prompt_number": 5
+    }
+   ],
+   "metadata": {}
+  }
+ ]
+}
+\ No newline at end of file