Correct calculation command for calculating vornoi volume

[MuhammadSaad]

Respected Lammps users, I am using lammps windows version 2023 mpi. I need to calculate vornoi volume of the system to get peratom virial stress conversion to stress peratom. I need to ask if I calculate vornoi volume using global scalar using the mention script commands rather than to calculate vornoi vector. Will it give the correct result as mentioned here? If I use id 1 as c_[1]. Is it fine to calculate vornoi volume. Is there any way to calculate per atom array for which each atom have different volume printed with corresponding atom ID rather then per atom vector having the same peratom value at the given time step. If so how to command in lammps? In addition what should be the corresponding fix command to evaluate per atom array and peratom vector?
Thanks

    compute peratomvol all c_cvor
    variable peratomvol1 equal c_cvor```

[Germain]

Hi @MuhammadSaad,

@MuhammadSaad

I need to ask if I calculate vornoi volume using global scalar using the mention script commands rather than to calculate vornoi vector.

This does not make much sense to me. I don’t know what you refer to using “voronoi vector” compared to a “global scalar”. If you want the per atom values, you need a vector.

@MuhammadSaad

If I use id 1 as c_[1]. Is it fine to calculate vornoi volume.

No. This is an incorrect syntax for LAMMPS scripts.

@MuhammadSaad

Is there any way to calculate per atom array for which each atom have different volume printed with corresponding atom ID rather then per atom vector having the same peratom value at the given time step. If so how to command in lammps?

See the voronoi/atom command. The manual page provides an example in the text to write the compute results to dump files.