IRL2 / nanover-server-rs

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Include velocities and forces in the FrameData #186

Closed jbarnoud closed 1 year ago

jbarnoud commented 1 year ago

Add the --include-velocities and --include-forces flags to the command line, and the corresponding check boxes in the GUI. These flags let a server include the velocities and forces for all atoms in the FrameData so it can be used by a client or recorded to file.

A visual client could use the data to colour particles or display force vectors. More interestigly, the data can be used in analyses later on.

Fixes #185