Hi all,

I have a question. Is there any way that LAMMPS can calculate the volume of a specified group of atoms during the loading? I haven’t found any options through manual. The only thing that came to my mind is finding the fraction of atoms to the whole atoms in the structure, since we have the volume of the whole structure. But it seems to be not very accurate, specially when the group consist of two types of atoms.

Regards,

Niaz

Hi all,

I have a question. Is there any way that LAMMPS can calculate the volume of

a specified group of atoms during the loading? I haven't found any options

the volume of a group of atoms is an ill-defined

quantity, so there is no option to calculate it.

through manual. The only thing that came to my mind is finding the fraction

of atoms to the whole atoms in the structure, since we have the volume of

the whole structure. But it seems to be not very accurate, specially when

the group consist of two types of atoms.

you don't have the volume of the whole structure either.

the volume you know is the volume of the simulation cell.

axel.