============
NanoCap 
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Copyright (c) 2014 M. Robinson

Introduction
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NanoCap provides both libraries and a standalone application for the construction 
of capped nanotubes of arbitrarily chirality and fullerenes of any radius. Structures 
are generated by constructing a set of optimal dual graph topologies which 
are subsequently optimised using a carbon interatomic potential. Combining 
this approach with a GUI featuring 3D rendering capabilities allows for the rapid 
inspection of physically sensible structures which can be used as input for 
molecular simulation. 

Requirements
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NanoCap as a library with no GUI.
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* NumPy - Version 1.6.2
* Scipy - Version 0.11.0
* sqlite3 Version 2.6.0
* C compiler (e.g. GCC)
* Fortran compiler (e.g. GFortran)

NanoCap + GUI from source
-------------------------

* Qt - Version 4.8.5 
* PySide - Version 1.1.1 
* VTK - Version 5.8 

Licenses
========

NanoCap is distributed under the Creative Commons Attribution-NonCommercial 2.5 
License (http://creativecommons.org/licenses/by-nc/2.5/). For a full description 
of this license see LICENSE.txt. 

In addition, if NanoCap is used to produce published work please acknowledge the 
following papers: 

1. Robinson M, Suarez-Martinez I, Marks N. A. Generalized method for constructing 
   the atomic coordinates of nanotube caps. Phys. Rev. B 2013 87(15):155430. 
 
2. Robinson M. Marks N. A. NanoCap: A Framework for Generating Capped Carbon Nanotubes 
   and Fullerenes. Com. Phys. Comm. 2014 185(10):2519-2523
   
In the standalone version of NanoCap, the following libraries are bundled but not 
modified: 

* NumPy - Version 1.6.2
* Scipy - Version 0.11.0
* sqlite3 Version 2.6.0
* Qt - Version 4.8.5 
* PySide - Version 1.1.1 
* VTK - Version 5.8 

The distribution licenses associated with each of the above are given in the 'licenses' 
folder which is bundled with both the source code and standalone application. 

Each license is compatible with the Creative Commons Attribution-NonCommercial 2.5 
License. 



