Potentials on OS X

Python framework for working with atomic configurations, potentials, and algorithms.

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graeme
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Potentials on OS X

Post by graeme » Sat Nov 05, 2005 7:37 am

The potentials can now be built on osx by running the Gman/pot/build_osx_xlf script. This is nothing fancy, but it's better than it was. This requires that xlf, f2py, numeric, and scipy to be installed.

graeme
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Posts: 1622
Joined: Tue Apr 26, 2005 4:25 am
Location: University of Texas at Austin
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Re: Potentials on OS X

Post by graeme » Sun Apr 13, 2008 8:30 pm

Things have changed a bit since that post (in 2005). The framework is now called TSSE, and it can be downloaded by following the instructions on the page: http://theory.cm.utexas.edu/henkelman/code/

The only module now required is numpy - this replaces numeric, scipy, and f2py.

The potentials are also now built just by running 'Make' in the main TSSE directory.

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