Pseudopotential generator for the contact interaction
Project description
contactpp is a package for the generation of pseudopotentials for the contact interaction. The theory is outlined in [BLNC].
P.O. Bugnion, P. López Ríos, R.J. Needs, and G.J. Conduit, High-fidelity pseudopotentials for the contact interaction.
Links
Home page: https://pypi.python.org/pypi/contactpp
Documentation: http://contactpp.readthedocs.org/en/latest/
Source code: https://github.com/pbugnion/contactpp
Installation
contactpp requires python2.7, numpy and scipy. On Ubuntu, for instance, these can be installed with:
$ sudo apt-get install python-numpy python-scipy
The easiest way to download and install contactpp is from the Python package index. Run:
$ easy_install contactpp
This requires root access (unless you are running in a virtual environment). To install without root access, run:
$ easy_install --user contactpp
To install from github, clone the git repository using:
$ git clone https://github.com/pbugnion/contactpp.git
Navigate to the source’s root directory (contactpp) and run:
$ python setup.py install
If you have a zip or a tar.gz archive of the source, unpack the compressed archive into a directory, navigate to this directory and run:
$ python setup.py install
You may need to run this as root, unless you are running in a virtual environment.
Issue reporting and contributing
Report issues using the github issue tracker.
Read the CONTRIBUTING guide to learn how to contribute.
Project details
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.