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madreher / radahn

Radahn is an interactive molecular dynamic application allowing users to steer their MD simulations and getting live feedback. The framework is currently build around LAMMPS as a simulation backend and will be extended to Gromacs in the future.

MIT License

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Project #44

Closed madreher closed 2 months ago

madreher commented 2 months ago

Add support for a project file. Every non temporal data is saved within the project. This includes:

model xyz
forcefield attached
motor graph
unit set
anchors
selections Temporal data may be added later on. The motor json input was removed as a result as it's replaced by the project.

madreher commented 2 months ago

Need to add a header for version, format information