From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Mon, 21 Sep 2009 17:29:46 +0000 (+0200)
Subject: script to calculate the energy over the reaction coordinate
X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=57f2209b6b362c2db63df8e915a6f04200b7b0f2;hp=57f2209b6b362c2db63df8e915a6f04200b7b0f2;p=physik%2Fposic.git

script to calculate the energy over the reaction coordinate
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