File	Date	Author	Commit
.idea	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
NanoCap.egg-info	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
bin	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
docs	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
example_scripts	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
nanocap	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
src-dev	2014-05-26	mrobbo85	[aa0811] dev to 1.0.10b
tests	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
.DS_Store	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
CHANGES.txt	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
INSTALL.txt	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
LICENSE.txt	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
MANIFEST.in	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
README.txt	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
classes_nanocap.dot	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
classes_nanocap.dot.strip	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
classes_nanocap.png	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
classes_nanocap_gui.dot	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
classes_nanocap_gui.dot.strip	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
classes_nanocap_gui.png	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
packages_nanocap.dot	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
packages_nanocap.png	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
packages_nanocap_gui.dot	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
run_pyreverse.py	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
run_pyreverse_gui.py	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta
setup.py	2014-05-26	mrobbo85	[804295] copy dev to 1.0.10-beta

Read Me

============
NanoCap 
============

Copyright (c) 2013 M. Robinson

Introduction
============

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
============

NanoCap as a library with no GUI.
---------------------------------

* 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 docs/LICENSE. 

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

1. Robinson M, Suarez-Martinez I, Marks NA. Generalized method for constructing 
   the atomic coordinates of nanotube caps. Phys. Rev. B 2013 87(15):155430. 
 
2. Robinson M. Marks, NanoCap: A Framework for Generating Capped Carbon Nanotubes 
   and Fullerenes. Com. Phys. Comm. 2014 Pending DOI. 

In the standalone version of NanoCap, the following libraries are bundle 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 'docs' 
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.