SENPAI-Molecular-Dynamics / SENPAI

Molecular dynamics simulation software
https://senpaimd.org
GNU General Public License v3.0
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Add Monte Carlo potential reduction #4

Closed Chelsea486MHz closed 5 years ago

Chelsea486MHz commented 5 years ago

The program could benefit from a way to reduce the potential energy before the simulation.

As an example, it could execute a certain number of cycles, each performing random physical transformations until the total potential energy of the system decreases.

It would be computationally intensive, but simple, to go with this "random" or Monte-Carlo approach to minimise the potential energy.

Chelsea486MHz commented 5 years ago

Done