NanoCap provides a simple framework for constructing carbon fullerenes and nanotubes. Within this framework, NanoCap can be used as a standalone desktop application to aid projects involving the modelling of fullerenes or nanotubes. Alternatively, the NanoCap libraries can be embedded in pre-existing code to harness the core functionality of NanoCap without the overhead of interfaces.
NanoCap is written in a combination of Python, C and Fortran backed by an SQL database. Capitalising on the advantages inherent to each language allows for a flexible yet efficient framework. For a closer look at the code, algorithms and scientific theory behind NanoCap please consult the documentation.
NanoCap is associated with two peer-reviewed publications. If you use NanoCap in your work, please cite the following:
- Generalized method for constructing the atomic coordinates of nanotube caps. Phys. Rev. B (2013) 87(15):155430.
- NanoCap: A Framework for Generating Capped Carbon Nanotubes and Fullerenes. Com. Phys. Comm. (2014) 185(10):2519-2526
NanoCap is distributed under the Creative Commons Attribution-NonCommercial 2.5 License . In addition to the linked description, a full description of this license and associated licences are bundled with the NanoCap application and source.
The NanoCap project has utilised a multitude of third-party libraries and utilities. Below is a comprehensive list of each resource:Core
- EDIP (custom Python-Fortran interface)
- Qt (PySide)