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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.

Project details


Release history Release notifications

This version
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1.1

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1.0.3

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1.0.2

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1.0.1

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1.0

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Filename, size & hash SHA256 hash help File type Python version Upload date
contactpp-1.1.tar.gz (14.2 kB) Copy SHA256 hash SHA256 Source None Aug 18, 2014

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