Now the lock mode is quite cumbersome in python scripting as it requires to build explicitly a vector for the polarizations.
This could be done directly inside the ModePorjection utility, by providing the full dynamical matrix, instead of the polarization separated at each q points.
Moreover, it could be extended to behave differently on different q points. by allowing to lock different modes in different q points (good if there is a crossing between modes in q space and we want to minimize just a branch).
Maybe also a custom function to lock global rotations could be added since it will allow simulating easily nanoparticles (then one should also exclude generating the ensemble along those directions)
Now the lock mode is quite cumbersome in python scripting as it requires to build explicitly a vector for the polarizations. This could be done directly inside the ModePorjection utility, by providing the full dynamical matrix, instead of the polarization separated at each q points.
Moreover, it could be extended to behave differently on different q points. by allowing to lock different modes in different q points (good if there is a crossing between modes in q space and we want to minimize just a branch).
Maybe also a custom function to lock global rotations could be added since it will allow simulating easily nanoparticles (then one should also exclude generating the ensemble along those directions)