nixpkgs / d-seams - d-SEAMS, is a free and open-source postprocessing engine for the analysis of molecular dynamics trajectories, which is specifically able to qualitatively classify ice structures in both strong-confinement and bulk systems. The engine is in C++, with extensions via the Lua scripting interface.

Homepage - https://dseams.info

License - GPL-3.0-or-later

Maintainers - Rohit Goswami

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From commit 066544a7 to 00460bd6