I want to increase temperature in steps of 100K from 0.1 K to 3500 K.At each temperature I want to run the system for 10000 timesteps and then take average over additional 10000 timesteps.
fix 1 all npt temp 0.1 100 0.1 iso 1.0 1.0 1.0
run 10000
unfix 1
fix 2 all npt temp 100 100 0.1 iso 1.0 1.0 1.0
run 10000
unfix 2
Do I need to repeat this till 3500 K
Is there any short method to reduce this code?
I want to increase temperature in steps of 100K from 0.1 K to 3500 K.At each
temperature I want to run the system for 10000 timesteps and then take
average over additional 10000 timesteps.
fix 1 all npt temp 0.1 100 0.1 iso 1.0 1.0 1.0
run 10000
unfix 1
fix 2 all npt temp 100 100 0.1 iso 1.0 1.0 1.0
run 10000
unfix 2
Do I need to repeat this till 3500 K
Is there any short method to reduce this code?
http://lammps.sandia.gov/doc/jump.html