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