I was wondering if there was a command to change the size/shape of the simulation box based on the lattice vectors.
The change_box command only allows x,y,z,xy,xz,yz to be changed, but I’d like to change the shape of the box based on the lattice vectors for the box.
Say my lattice vectors are of the form:
a1 = <x, xy, xz>
a2 = <yx, y, yz>
a2 = <zx, zy, z>
so that we can construct the “box size” matrix:
x xy xz
yx y yz
zx zy z
The change_box command assume xy=yz, xz = zx, and zy = yz.
My “box”, however, does not have this symmetry.
I’m aware that I can use the lattice custom command, but I need to change the size and shape of the box and not create a new lattice.
Is there a command for this?
Thanks for your time.