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MetalWalls

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.

homepage: https://gitlab.com/ampere2/metalwalls

Available installations

MetalWalls version Supported CPU targets Supported GPU targets EESSI version Module
21.06.1 generic: aarch64, x86_64
Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/grace
AMD: zen2, zen3, zen4
Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake
(none) 2023.06 MetalWalls/21.06.1-foss-2023a