Skip to main content

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.


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

Navigate to the source’s root directory (contactpp) and run:

$ python 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 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.

Source Distribution

contactpp-1.1.tar.gz (14.2 kB view hashes)

Uploaded source

Supported by

AWS AWS Cloud computing Datadog Datadog Monitoring Fastly Fastly CDN Google Google Object Storage and Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page