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Nick Papior edited this page Sep 17, 2015 · 15 revisions

sids

sids provides an easy to use geometry tool which accomodates several features used in the electronic structure and molecular dynamics codes.

It can be used as a purely command line utility providing manipulation routines, or used as a Python module to achieve greater flexibility.

Installation

Before installation sids requires these packages already present in the PYTHONPATH:

  1. numpy
  2. Scipy
  3. netcdf4-python

Once the above packages are available to Python you can initiate the installation by:

python setup.py install --prefix=<prefix>

Note that sids is both 2.6>= and 3.2>= compliant.

Replace python with python3 for Python3 installation.

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