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#!/usr/bin/env python |
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#!@PYTHON_EXECUTABLE@ |
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"""Computes predicted diffusion constants and rotational relaxation |
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times from a diff file. Explains the values in the diff file in |
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terms of properties that can be calculated from a molecular dynamics |
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""" |
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__author__ = "Dan Gezelter (gezelter@nd.edu)" |
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__version__ = "$Revision: 1.1 $" |
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__date__ = "$Date: 2008-01-16 20:19:28 $" |
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__version__ = "$Revision$" |
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__date__ = "$Date$" |
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__copyright__ = "Copyright (c) 2008 by the University of Notre Dame" |
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__license__ = "OOPSE" |
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__license__ = "OpenMD" |
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import sys |
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import getopt |
