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LAMMPS LAMMPS Mailing List Mirror
1

Dear Users and Developers,

I just started to learn Lammps and I encounter some problems that I can’t figure out. I have searched almost every website but none of them can solve the problem.

I want to simulate some oxygen vacancy in SrTiO3. And just want to delete the one type of oxygen atoms on one side of the box, i.e the one at 0,0.5,0.5, with using porosity to do. However, I don’t know how I can write this command. I tried to enter group number but error said region ID could not be found, so I enter the region ID’simboxx’, which I don’t think would generate the result that I want.

I copied my infile for you to check.
Any advice will be appreciated.
Thanks in advance.

Here is my in file:

2

Dear Users and Developers,

I just started to learn Lammps and I encounter some problems that I can’t figure out. I have searched almost every website but none of them can solve the problem.

you have to spend more time reading the LAMMPS manual. specifically, the documentation of the delete_atoms command, but also all pages explaining features and concepts (like groups and regions) referred to on that page. the LAMMPS manual describes all commands and options in great detail; sometimes so much detail, that beginners need to read it multiple times and read up on related information as well.

axel.