Hello,
I was trying to run MD simulations in an NVT ensemble with the CSVR thermostat, which was recently implemented in the development version of ASE.
I saw a slight drift of the center of mass of my system. I noticed that no options were available to fix the position and momentum of the center of mass, which is available to other existing thermostats.
Will this flag be available for the CSVR thermostat? Or was it already implemented implicitly?
Thank you!