[CP2K:6005] Re: Ineffective FIXED_ATOMS constraints in QS MD

Noam Bernstein noam.be... at gmail.com
Wed Jan 14 13:57:02 UTC 2015

> May it be just a velocity of the Langevin part of the AD_LANGEVIN thermostat slipping through the code and producing the bug?

Could certainly be. I'll take a look, since I wasn't thinking about constraints when I implemented it.


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