slackbuilds_ponce/academic/metalwalls/README
William PC 9d22daaaf0 academic/metalwalls: Added (Molecular modelling systems).
Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>
2022-10-19 01:02:36 +07:00

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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