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
0 stars 0 forks source link

Auto center for Rotate motor #69

Closed madreher closed 2 months ago

madreher commented 2 months ago

Add the option in a RotateMotor to auto center the motor at runtime. When inputs are generated, the frontend use the selection of the motor to calculate the geometric center of the selection and use is at centroid for the rotation. This option can be enabled in each rotate motor individually and is not enabled by default.