Dear lammps-users and developers, I have a small query.
The flow group is divided into many lays, which is used for the statistical calculation of velocity and temperature. The lays are built as followed:
--------------------------------
compute temp_1 flow temp/region 1
compute temp_2 flow temp/region 2
…and so on
--------------------------------
The lays have difficult translational velocity which is not known.
I want to subtracting out the effect of translational velocity on temperature statistics.
However,
1. The temp/com command can not be used in "compute temp_1 flow temp/region 1"
2. The compute_modify command can not be used to subtracting out the center-of-mass velocity of the group.
Any suggestions and comments will be highly appreciated. Thanks in advance.
kind regards!
|
You can use compute temp/profile to subtract out a streaming velocity.
See Section 4.16 of the manual for a discussion of how to apply other
kinds of biasing to temperature computation or the doc pages for
individual compute temp commands.
Steve