[lammps-users] Question about atomic structure after shear

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1

Dear all,

I want to check the atomic structure after shear such as shear strain is 15%, I think the lattic will be a triclinic, but the in the dump file, the lattic is orthorhombic lattice. when I plot the atomic structure, also find the lattice are filled by atomic. How can I change this lattic to a triclinic? I used PBC to move the atom, but it seems not correct. Can you give me some suggestions? Thanks a lot!!

dump all custom T50K.dump tag type x y z

best regards，

2

Triclinic in LAMMPS does not refer to the atoms but to the
periodic simulation box being tilted. See the doc pages,
section 4.12 for a discussion of how to set this up.

If you have a non-PBC box and shear it and want
to see if the atoms shifted onto another (triclinic)
lattice, then you'll need to examing snapshots and
do some analysis to figure out what the atoms did.

Steve

2009/8/29 Guan Pengfei <[email protected]...>: