[CP2K:2300] how to set COMVEL-TOL
teodor... at gmail.com
Fri Sep 25 10:25:46 UTC 2009
I was not able to find any COMVEL keyword. Maybe you meant COMVEL_TOL
If a keyword has not a unit of measure it accepts atomic units (unless
explicitly defined in the text of the keyword specification).
COMVEL_TOL has not unit defined therefore it is assumed to be in atomic
Anyway I just added a default unit for COMVEL_TOL and this allows you to
specify the unit you like more for velocity. It's in the CVS.
> Hi all,
> I want to subtract the velocity of COM in the MD simulations.
> I found COMVEL keyword. what is the default unit of this keyword ?
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