[lammps-users] problem related to "variable" defining

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1

hi to all lammps users

my problem is like, first I am equilibreating my system at 300K for 10 ps and then I increased the temperature of the system by 10 K & again equilibrate the system for 10 ps and further increasing the temp to 320K and so on. the input script is as below

compute new3d mobile temp
velocity mobile create 300.0 5812775 temp new3d

fix 3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
fix_modify 3 temp new3d

run 10000

unfix 3
fix 3 mobile temp/rescale 10 310.0 310.0 10.0 1.0
fix_modify 3 temp new3d

run 10000

unfix 3
fix 3 mobile temp/rescale 10 320.0 320.0 10.0 1.0
fix_modify 3 temp new3d

run 10000

unfix 3
fix 3 mobile temp/rescale 10 330.0 330.0 10.0 1.0
fix_modify 3 temp new3d

run 10000

unfix 3
fix 3 mobile temp/rescale 10 340.0 340.0 10.0 1.0
fix_modify 3 temp new3d

run 10000

2

You need to re-execute the fix temp/rescale command,
not just increment the variable x = temperature.

You could put the lines that reset x, fix temp/rescale,
and run in a "loop", see the doc page for the jump
command for an example.

If you want a variable with dozens of 100s of values,
and don't want to list them, then you could use a
loop-style variable (1 to N), then create another
variable that converts that variable into something
you want, e.g. variable t equal x*10

Steve