Hi All, with version 2008 of lammps we could use following command:
fix 1 group1 ave/spatial 100 50 5000 y center 0.1 vx vy vz y units reduced norm all file output.dat
which would print the corresponding y coordinate of a reduced-unit-generated bin in box units. But in the recent version it gives a error, how can I print the corresponding coordinate of a reduced-unit-generated bin in the same output file of the fix ave/spatial.
Best,
Kasra.
What is the error message it prints?
Steve
The error message is:
ERROR: Illegal fix ave/spatial command (fix_ave_spatial.cpp:242)
and if I remove the y (the one that is there as a “value”) then it works fine. How can I have the bin coordinate in box units though?
Best,
Kasra.
The error message is:
ERROR: Illegal fix ave/spatial command (fix_ave_spatial.cpp:242)
and if I remove the y (the one that is there as a "value") then it works
fine. How can I have the bin coordinate in box units though?
as it should. this second "y" (the one after vx vy vz) is not consistent
with the documentation, what is the purpose?
axel.
In 2008 version I could use the same syntax to have the coordinate of the bins in box units while I was binning up the domain using reduced units. But in recent version it doesn’t let me do that so how I can have the bins coordinates in box units while I use reduced units for binning up?
Best,
Kasra.
You can use a per-atom compute as an argument to
fix ave/spatial. If you use compute property/atom you
can specify any atom property (e.g. y) as an arg
to fix ave/spatial.
Steve