Analyse data from configuration under deformation

Dear LAMMPS users,

I am doing simulations under shear using the following commands:

fix shearbox all deform 1 xy erate 0.01 remap v flip yes units box

compute sheartemp all temp/deform

fix_modify thermo_langevin temp sheartemp

In the same time, I am writing the positions of the particles using

periodic boundary conditions. The next step is to analyze the behavior from the positions with my owner program (for example, static structure factor). However, I am getting strange results from these configurations. Based on the fact that the programs I use for the analysis are tested and work well, what could be the mistake if all the particles are inside the box?

Thank you for your patience.

The best,

José Ruiz-Franco.


Does your post-processing code consider triclinic box and the time evolution of the box?