Hello
I am trying to get wrapped coordinates for atoms in a triclinic simulation box
I am printing out x, y, z and ix, iy, iz in dump file
How do I get the wrapped coordinates for the atoms when I know the information for the box : xlow, xhigh, ylow, yhigh, zlow, zhigh and xy, xz and yz
I could get the answer for the orthogonal box but for triclinic I am not able to figure out
Thanks so much in advance
sudeep