degironc
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aa21287088
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New feature, density counter-charge correction (I.Dabo+N.marzari), added.
It allows to treat a molecular system in open boundary conditions.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4973 c92efa57-630b-4861-b058-cf58834340f0
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2008-06-11 10:47:40 +00:00 |