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Simulated Annealing

Started by rshukre, October 25, 2020, 04:39:14 AM

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rshukre

October 25, 2020, 04:39:14 AM
Does RASPA have the capability to do simulated Annealing? If so, how to specify the temperature range for annealing?

David Dubbeldam

#1
January 19, 2021, 07:22:56 PM
No, but you could achieve this with scripts. Just simulate at a certain temperature, and use the restart-file to restart at a lower temperature.
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