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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].

[BLNC]P.O. Bugnion, P. López Ríos, R.J. Needs, and G.J. Conduit, High-fidelity pseudopotentials for the contact interaction.

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.

Release History

Release History

This version
History Node

1.1

History Node

1.0.3

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1.0.2

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1.0.1

History Node

1.0

Download Files

Download Files

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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
contactpp-1.1.tar.gz (14.2 kB) Copy SHA256 Checksum SHA256 Source Aug 18, 2014

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