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.
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