region orient problem

LAMMPS LAMMPS Mailing List Mirror
1

Hi everyone,

I’m trying to simulate a tension test on Al sample. I want to change the orientation of a region within the simulation box.

The problem is that I couldn’t determine orient values for x and y in case the orient z is 1 2 3. I derived some values by coordinate transformation. However, I got the error “Lattice orient vectors are not right-handed.”

Does anyone know how can i proceed?

Thanks in advance,

Berkay

2

Hi everyone,

I'm trying to simulate a tension test on Al sample. I want to change the
orientation of a region within the simulation box.

The problem is that I couldn't determine orient values for x and y in case
the orient z is 1 2 3. I derived some values by coordinate transformation.
However, I got the error "Lattice orient vectors are not right-handed."

If u are trying to compress in z-[123] direction, then choose x direction
arbitrarily such that x.z=0, then choose y direction such that x X y=z.
This is what it means by right handed.

3

Hi,

Thanks for the answer. I tried

x -1 2 -1 y -1.5 0 0.5 z 1 2 3

I got “Lattice orient vectors are not orthagonal” error.

I think I have to select these values such that x.y=0, y.z=0 as well.

Do you have any other suggestion?

Berkay

4

Hi,

Thanks for the answer. I tried

x -1 2 -1 y -1.5 0 0.5 z 1 2 3

I got "Lattice orient vectors are not orthagonal" error.

I think I have to select these values such that x.y=0, y.z=0 as well.

Yes... After all, this is what you want. U should have x.y=0, x.z=0,y.z=0
and x X y =z.