[CP2K:6183] QM/MM with Force Mixing and massive Adaptive Langevin thermostat
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?
More information about the CP2K-user