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FRI-Computational-Materials / haptic-device

Code for the FRI haptic device project
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Dealing with unknown potentials #33

Closed styu99 closed 5 years ago

styu99 commented 5 years ago

Automate the scaling of the graph for potentials in which we don't know the global minimum. Another improvement to consider for unknown potentials is recording the lowest energy found.

One solution would be to dynamically update the graph based on the lowest energy found.

styu99 commented 5 years ago

Implemented in 9f566880325a863c508e0b44e890bce0c3fa0b42

Not sure if there's a better way to do it, as of now, it looks like the potential energy is going up when it's adjusted. The program will also need to be updated to switch to this mode for different potentials. As of now this only activates for LJ clusters for which the global minimum isn't specified in global_minima.txt ( 2 < N < 150).