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Unformatted text preview: 2. (10 p) Implement Berendsen temperature control into mdmorse . Use the read-in parameters btctau and desiredT for this. The Frst one is the tem-perature control time constant and the second one the desired temperature towards which the temperature is scaled. Implement the algorithm so that no control is performed if btctau=0 . Test the control by simulating morse Cu with otherwise the default inputs but using desiredT=0.0 , initialT=300.0 , and btctau=1000.0 . How long does it take until the cell temperature has decreased to below 10 K? How about when running with btctau=100.0 ? Return the modiFed subroutines and answers to the questions....
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This note was uploaded on 02/14/2012 for the course CSE 6590 taught by Professor Kotakoski during the Winter '12 term at York University.
- Winter '12