How can I add energy with pulse duration to a region?

Dear all,
I want to heat a region of the system with a pulse duration energy of 1ns.

I tried to use “fix heat”,but it increased energy at once when N steps is run. Then I tried to set “N” to 10ps(timestep=1fs,N=10000) and set “eflux” 100 times smaller, Then ran 1000000(heat the group 100 times in 1ns with a 100 times smaller energy).

However,the target is group but not region. Because some atoms ran out of the region,when I heated the group first time. It’s not my purpose.

Thank you.

The fix heat command has a region option, so you can use it
with either a group or region.


Dear Steve,
Thank you. I ignored the region choice when I read the Manual. Because it says that the atom must be in both the group and the specified geometric region. I only want to heat atoms in that region no matter which group the atoms belong.

Z.Q. Liao

If you make the group = all, and use the region,
then effectively only the region constraint is applied.