What type of mechanical test and why can’t it be applied to a triclinic cell?
Thanks for your response. Actually there is a reason. I need to simulate a mechanical test and for that, I need a cubic simulation box. So, how can I do that ?
The manual is correct. I wonder if there is a legitimate reason for converting the triclinic cell to orthorhombic? Elastic constants from triclinic crystals are just as valid.
Dear LAMMPS users,
Actually I'm a bit confused. In the following link which is manual of LAMMPS it says that " If the simulation box is currently triclinic and has non-zero tilt in xy, yz, or xz, then it cannot be converted to an orthogonal box ".
the other hand, some peopole on this forms suggested to use change_box command. What should I do ?! By the way, I have a triclinic simulation box and I should convert it into a cubic before doing my simulations.