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A Lua library for linking with SIESTA

$ luarocks install flos

This library enables optimization schemes created in Lua to be used together with SIESTA via the flook library, hence the same flo + SIESTA = flos. This enables scripting level languages to inter-act and develop new MD schemes, such as new geometry constraints, geometry relaxations, etc.

Versions

0.1-19 years ago111 downloads

Dependencies

lua >= 5.1, < 5.4

Manifests