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script to calculate the energy over the reaction coordinate
author
hackbard
<hackbard@sage.physik.uni-augsburg.de>
Mon, 21 Sep 2009 17:29:46 +0000
(19:29 +0200)
committer
hackbard
<hackbard@sage.physik.uni-augsburg.de>
Mon, 21 Sep 2009 17:29:46 +0000
(19:29 +0200)
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