Monte Carlo/molecular dynamics (MCMD)

Basic hybrid Monte Carlo/molecular dynamics (MCMD) scripts and an example run can be found at http://alloy.phys.cmu.edu/mcmd-share or gzipped at http://alloy.phys.cmu.edu/mcmd-share.tgz.

Replica exchange Monte Carlo/molecular dynamics (REMCMD) scripts (currently constant volume only) and an example run can be found at http://alloy.phys.cmu.edu/remcmd-share or gzipped at http://alloy.phys.cmu.edu/remcmd-share.tgz.

Replica exchange molecular dynamics (REMD) scripts (also known as parallel tempering) including volume expansion, and an example run can be found at http://alloy.phys.cmu.edu/remcmd-share.

If you use these codes, please cite our paper M. Widom, W.P. Huhn, S. Maiti and W. Steurer, "Hybrid Monte Carlo/molecular dynamics simulation of a refractory metal high entropy alloy", Met. Mat. Trans A 45 (2013) 196-200 http://link.springer.com/article/10.1007%2Fs11661-013-2000-8

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