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slackbuilds/academic/metalwalls
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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
..
README academic/metalwalls: Added (Molecular modelling systems). 2022-10-19 01:02:36 +07:00
metalwalls.SlackBuild academic/metalwalls: Added (Molecular modelling systems). 2022-10-19 01:02:36 +07:00
metalwalls.info academic/metalwalls: Added (Molecular modelling systems). 2022-10-19 01:02:36 +07:00
slack-desc academic/metalwalls: Added (Molecular modelling systems). 2022-10-19 01:02:36 +07:00

README 

  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