Guasi-static loading -monitoring the strain components

Dear Lammps users/developers

Since I am quite a beginner with Lammps, I would like to ask your help/opinion about a protocol that i want to follow.What I am interested to do is to deform my binary amorphous system by applying pure shear by a variation of the standard procedure of straining the entire system homogeneously in small increments (de=0.0005) followed by energy minimizations.

During the apply of homogeneous strains as well as relaxing the atomic positions, I have to relax the components of strain apart from the one being controlled. It is proposed that this last thing is equivalent keeping the hydrostatic pressure always zero.

The PBC that i have to use is Lees-Edwards and as I read this can be achieved by using the fix/sllod command. Moreover the deformation can be done by fix/deform or displace_box if I am right. My basic problem is if it is possible to “relax” the components of my strain tensor in a certain way (apart from the one that i control) that the hydrostatic pressure will be always zero?

I will highly appreciate if someone provides me any opinion/suggestion about the procedure that i want to follow

Best regards and thanks in advance
Alexandra Lagogianni
Goe, Germany

Fix nvt/sllod is for flow. Fix deform will deform the box continuously

during a run. Change_box will deform it all at once, between or before

a run. Others have done what you are talking about by writing

a loop (see jump command) which changes the box, then does

a minimization, and repeats with incremental changes.