[CP2K:6183] QM/MM with Force Mixing and massive Adaptive Langevin thermostat

Noam Bernstein no... at bollweevil.gdbg.org
Wed Mar 4 13:21:51 UTC 2015


I'd be happy to take a look, since I wrote that code.  Any chance you
could reproduce this with pure MM, and can you test whether it's tied
to running serial vs. parallel?

     Noam



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