May i ask where can i get information about the loop construct? im looking
at the LAMMPS commands page and i couldnt find it
please always keep the mailing list in cc.
you would need to look at variable, jump, label, next.
the jump command has some examples:
http://lammps.sandia.gov/doc/jump.html
axel.
Here is my logs.
From the logs, it seemed that the commands are executed but the result doesnt. The atom type is not changed in the result
Total # of neighbors = 1850655
Ave neighs/atom = 101.506
Neighbor list builds = 47
Dangerous builds = 29
group lreservoir region left2131 atoms in group lreservoir
set group lreservoir type 1 2131 settings made for type
group rreservoir region right1350 atoms in group rreservoir
set group rreservoir type 2 1350 settings made for type
Memory usage per processor = 2.83127 Mbytes
Step Temp PotEng TotEng Press Volume
682000 791.04121 -75009.009 -73144.887 438.98656 231627.75
682500 787.8081 -75001.187 -73144.684 280.29271 231646.76
Loop time of 9.39272 on 8 procs for 500 steps with 18232 atoms
Here is my logs.
From the logs, it seemed that the commands are executed but the result
doesnt. The atom type is not changed in the result
how can you tell?
the log _does_ show that changes are made.
axel.
It is easy to tell, because i change a big region of atoms to one atom type periodically, but on VMD, i still see a mix of two atom types in that region
It is easy to tell, because i change a big region of atoms to one atom type
periodically, but on VMD, i still see a mix of two atom types in that region
well, this is a bad way to test. VMD doesn't support
changing atom types. it reads and keeps the atom
type of the first frame. this is well documented and
often discussed on the VMD and this list.
axel.
is there a way to get around this? ill try reading it on VMD