changed name to nano-net

jupyter_notebooks/atom_chains.ipynb

@@ -24,7 +24,7 @@
       "|_| \\_|\\__,_|_| |_|\\___/|_| \\_|\\___|\\__|\n",
       "                                        \n",
       "\n",
-      "Vesion 1.0\n"
+      "Vesion 1.1.5\n"
      ]
     }
    ],
@@ -152,8 +152,8 @@
       "---------------------------------\n",
       "\n",
       "Unique distances: \n",
-      "    1. Ang between atoms A and B\n",
       "    1. Ang between atoms B and A\n",
+      "    1. Ang between atoms A and B\n",
       "---------------------------------\n",
       "\n"
      ]
@@ -285,6 +285,13 @@
     "ax.plot(kk, np.sort(np.real(band_sructure)), 'k')\n",
     "plt.show()"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {

jupyter_notebooks/bismuth_bulk.ipynb

@@ -23,7 +23,7 @@
       "|_| \\_|\\__,_|_| |_|\\___/|_| \\_|\\___|\\__|\n",
       "                                        \n",
       "\n",
-      "Vesion 1.0\n"
+      "Vesion 1.1.5\n"
      ]
     }
    ],
@@ -225,7 +225,7 @@
     {
      "data": {
       "text/plain": [
-       "<nanonet.tb.hamiltonian.Hamiltonian at 0x7fde3b5c09e8>"
+       "<nanonet.tb.hamiltonian.Hamiltonian at 0x7f257070b358>"
       ]
      },
      "execution_count": 8,
@@ -332,6 +332,13 @@
     "ax.xaxis.grid()\n",
     "plt.show()"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {

jupyter_notebooks/bulk_silicon.ipynb

@@ -53,7 +53,7 @@
       "|_| \\_|\\__,_|_| |_|\\___/|_| \\_|\\___|\\__|\n",
       "                                        \n",
       "\n",
-      "Vesion 1.0\n"
+      "Vesion 1.1.5\n"
      ]
     }
    ],
@@ -161,7 +161,7 @@
     {
      "data": {
       "text/plain": [
-       "<nanonet.tb.hamiltonian.Hamiltonian at 0x7f8c22359a58>"
+       "<nanonet.tb.hamiltonian.Hamiltonian at 0x7f31373ff0f0>"
       ]
      },
      "execution_count": 4,
@@ -336,13 +336,20 @@
     "ax.xaxis.grid()\n",
     "plt.show()"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "env",
    "language": "python",
-   "name": "python3"
+   "name": "env"
   },
   "language_info": {
    "codemirror_mode": {

jupyter_notebooks/nanostrip.ipynb

@@ -24,7 +24,7 @@
       "|_| \\_|\\__,_|_| |_|\\___/|_| \\_|\\___|\\__|\n",
       "                                        \n",
       "\n",
-      "Vesion 1.0\n"
+      "Vesion 1.1.5\n"
      ]
     }
    ],

jupyter_notebooks/silicon_nanowire.ipynb

@@ -32,7 +32,7 @@
       "|_| \\_|\\__,_|_| |_|\\___/|_| \\_|\\___|\\__|\n",
       "                                        \n",
       "\n",
-      "Vesion 1.0\n"
+      "Vesion 1.1.5\n"
      ]
     }
    ],
@@ -120,10 +120,10 @@
       "---------------------------------\n",
       "\n",
       "Unique distances: \n",
-      "    2.3816 Ang between atoms Si and Si\n",
-      "    1.4584 Ang between atoms H and H\n",
       "    1.4885 Ang between atoms Si and H\n",
       "    1.4885 Ang between atoms H and Si\n",
+      "    2.3816 Ang between atoms Si and Si\n",
+      "    1.4584 Ang between atoms H and H\n",
       "---------------------------------\n",
       "\n",
       "Primitive_cell_vectors: \n",
@@ -152,7 +152,7 @@
     {
      "data": {
       "text/plain": [
-       "<matplotlib.image.AxesImage at 0x7f68c3238f28>"
+       "<matplotlib.image.AxesImage at 0x7f5c42be8a20>"
       ]
      },
      "execution_count": 3,
@@ -241,7 +241,6 @@
     "ax[1].set_ylabel(r'Energy (eV)')\n",
     "ax[1].set_title('Conduction band')\n",
     "fig.tight_layout()\n",
-    "plt.savefig('nanowire_bs.pdf')\n",
     "plt.show()"
    ]
   }

nanonet/tb/__init__.py

@@ -1,7 +1,7 @@
 from __future__ import absolute_import
 from pkg_resources import get_distribution
 
-__version__ = get_distribution('nanonet').version
+__version__ = get_distribution('nano-net').version
 __author__ = "Mike Klymenko"
 __email__ = "mike.klymenko@rmit.edu.au"
 

nanonet/tb/diatomic_matrix_element.py

@@ -12,7 +12,7 @@
 import math
 from .constants import *
 import warnings
-from nanonet.tb.tb_params import *
+from nanonet.tb import tb_params
 
 
 def me_diatomic(bond, n, l_min, l_max, m, which_neighbour):
@@ -54,14 +54,12 @@ def me_diatomic(bond, n, l_min, l_max, m, which_neighbour):
 
     try:
         if which_neighbour == 0:
-            return getattr(sys.modules[__name__], 'PARAMS_' + bond)[label]
+            return getattr(sys.modules[tb_params.__name__], 'PARAMS_' + bond)[label]
         elif which_neighbour == 100:
             return 0
         else:
-            return getattr(sys.modules[__name__], 'PARAMS_' + bond + str(which_neighbour))[label]
+            return getattr(sys.modules[tb_params.__name__], 'PARAMS_' + bond + str(which_neighbour))[label]
     except KeyError:
-        warnings.warn('There is no parameter PARAMS_' +
-                      bond + '[' + label + ']' + ' in the dictionary', UserWarning)
         return 0
 
 

nanonet/tb/hamiltonian_initializer.py

@@ -6,10 +6,10 @@
 from __future__ import absolute_import
 import sys
 import numpy as np
-from .orbitals import Orbitals
-from . import diatomic_matrix_element as dme
-from .hamiltonian import Hamiltonian
-from .hamiltonian_sparse import HamiltonianSp
+from nanonet.tb.orbitals import Orbitals
+from nanonet.tb import tb_params as dme
+from nanonet.tb.hamiltonian import Hamiltonian
+from nanonet.tb.hamiltonian_sparse import HamiltonianSp
 
 
 def set_tb_params(**kwargs):

setup.py

@@ -1,12 +1,13 @@
 from setuptools import setup, find_namespace_packages
 
-
 with open("README.md", "r") as fh:
     long_description = fh.read()
 
+with open('requirements.txt') as fp:
+    install_requires = fp.read().splitlines()
 
-setup(name='nanonet',
-      version='1.1.5',
+setup(name='nano-net',
+      version='1.1.7',
       description='Python framework for tight-binding computations',
       long_description=long_description,
       long_description_content_type="text/markdown",
@@ -24,5 +25,6 @@
             "License :: OSI Approved :: MIT License",
             "Operating System :: OS Independent",
       ],
-      python_requires='>=3.6'
+      python_requires='>=3.6',
+      install_requires=install_requires
       )