Add lib files

cabf20d0 · Rickard Armiento · b8d4235e · cabf20d0 · cabf20d0 · cabf20d0
Unverified Commit cabf20d0 authored 7 years ago by Rickard Armiento
--- a/OUTCAR
+++ b/OUTCAR
--- a/POSCAR
+++ b/POSCAR
+Generated by cif2cell 1.0.12. Rb2MnCl4 :
+   5.11032200000000     
+     0.9322165652167527    0.0000000000000000    0.0000000000000000
+     0.0000000000000000    0.9322165652167527    0.0000000000000000
+     0.0000000000000000    0.0000000000000000    2.7397786517754481
+   C    O    N 
+     1     2     4
+Direct
+  0.0000000000000000  0.0000000000000000  0.0000000000000000
+  0.5000000000000000  0.5000000000000000  0.8565621172314014
+  0.5000000000000000  0.5000000000000000  0.1434378827685985
+  0.5000000000000000  0.5000000000000000  0.3440196263283136
+  0.5000000000000000  0.5000000000000000  0.6559803736716865
+  0.5000000000000000  0.0000000000000000  0.5000000000000000
+  0.0000000000000000  0.5000000000000000  0.5000000000000000
+ 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
--- a/matplotlib_example.ipynb
+++ b/matplotlib_example.ipynb
--- a/numpy_example.ipynb
+++ b/numpy_example.ipynb
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 1.5,  2. ,  3. ],\n",
+       "       [ 4. ,  5. ,  6. ]])"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import numpy as np\n",
+    "b = np.array ([(1.5 ,2 ,3) , (4 ,5 ,6)])\n",
+    "b"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(2, 3)"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "b.shape"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 0.,  0.,  0.],\n",
+       "       [ 0.,  0.,  0.]])"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "b - b"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[  9.75,  14.  ,  24.  ],\n",
+       "       [ 36.  ,  50.  ,  66.  ]])"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "b*(b+5)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 0.99749499,  0.90929743,  0.14112001],\n",
+       "       [-0.7568025 , -0.95892427, -0.2794155 ]])"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "np.sin(b)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 1.5,  2. ],\n",
+       "       [ 4. ,  5. ]])"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    ">>> b[:2 ,:2]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[-10.,   4.],\n",
+       "       [  8.,  -3.]])"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "np.linalg.inv(b[:2, :2])"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "collapsed": true
+   },
+   "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": "3.4.3"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
+%% Cell type:code id: tags:
+
+``` python
+import numpy as np
+b = np.array ([(1.5 ,2 ,3) , (4 ,5 ,6)])
+b
+```
+
+%% Output
+
+    array([[ 1.5,  2. ,  3. ],
+           [ 4. ,  5. ,  6. ]])
+
+%% Cell type:code id: tags:
+
+``` python
+b.shape
+```
+
+%% Output
+
+    (2, 3)
+
+%% Cell type:code id: tags:
+
+``` python
+b - b
+```
+
+%% Output
+
+    array([[ 0.,  0.,  0.],
+           [ 0.,  0.,  0.]])
+
+%% Cell type:code id: tags:
+
+``` python
+b*(b+5)
+```
+
+%% Output
+
+    array([[  9.75,  14.  ,  24.  ],
+           [ 36.  ,  50.  ,  66.  ]])
+
+%% Cell type:code id: tags:
+
+``` python
+np.sin(b)
+```
+
+%% Output
+
+    array([[ 0.99749499,  0.90929743,  0.14112001],
+           [-0.7568025 , -0.95892427, -0.2794155 ]])
+
+%% Cell type:code id: tags:
+
+``` python
+>>> b[:2 ,:2]
+```
+
+%% Output
+
+    array([[ 1.5,  2. ],
+           [ 4. ,  5. ]])
+
+%% Cell type:code id: tags:
+
+``` python
+np.linalg.inv(b[:2, :2])
+```
+
+%% Output
+
+    array([[-10.,   4.],
+           [  8.,  -3.]])
+
+%% Cell type:code id: tags:
+
+``` python
+```
--- a/scipy_example.ipynb
+++ b/scipy_example.ipynb