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authorWilliam PC <w_calandrini[at]hotmail[dot]com>2022-10-19 01:02:36 +0700
committerWilly Sudiarto Raharjo <willysr@slackbuilds.org>2022-10-19 01:02:36 +0700
commit9d22daaaf0fac506a33ca375593bd72b0cb91a03 (patch)
treeda49eaea7c5500c444bfd8eb4e18399f2fc11a6d /academic/metalwalls/README
parentfdb9946a2d1a8dc065ccbf3ba248d1d3dc8c4de4 (diff)
academic/metalwalls: Added (Molecular modelling systems).
Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>
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+ MetalWalls (MW) is a molecular dynamics code dedicated to the
+modelling of electrochemical systems. Its main originality is the
+inclusion of a series of methods allowing to apply a constant
+potential within the electrode materials.
+
+ For building the MPI version set the environment variable MPI=yes
+this requires a MPI implementation either openmpi or mpich.
+
+ The final executable is metalwalls