Using box/relax for stress controlled energy minimization

Dear lammps-users,

I was trying to use box/relax in a energy minimization for triclinic cell whose stress components other than pxz are relaxed.

The relevant code I use is showed below:

“fix 1 all box/relax tri 0.0 0.0 0.0 0.0 NULL 0.0 couple none”

I tried several times. But the output I got was always “ERROR: Illegal fix box/relax command”.

Is their anything I misunderstand.

Thanks,

Lyon

Dear lammps-users,

I was trying to use box/relax in a energy minimization for triclinic cell whose stress components other than pxz are relaxed.

The relevant code I use is showed below:

"fix 1 all box/relax tri 0.0 0.0 0.0 0.0 NULL 0.0 couple none"

I tried several times. But the output I got was always "ERROR: Illegal fix box/relax command".

As you should. Have a look at the documentation.

Axel

Dear all,

I have tried other keywords. But it still does not work.

“fix 1 all box/relax x 0.0 y 0.0 z 0.0 xy 0.0 xz 0.0”

Could you please help me fix this problem.

Thanks.

Lyon

Dear all,

I have tried other keywords. But it still does not work.

“fix 1 all box/relax x 0.0 y 0.0 z 0.0 xy 0.0 xz 0.0”

Could you please help me fix this problem.

Are you using the latest version?

Axel