In Lammps unwrapped co- ordinates has a limit (If one particle travels a large distance say my un wrapped co -ordinates is 25000, the time it goes to -25000). If I want to trace the trajectory it is a problem . Is there any way to get the original co-ordinates not the un-wrapped co-ordinats ? Which .cpp file I have to change to get the co-ordinates correctly if I declare my own xorigianl ,yoriginal, zoriginal. ? I use periodic boundary condition . And dump_custom command
Please help me in this
Dump custom has options for xu,yu (unwrapped coords) and also ix,iy
which are the count of box wrappings, so you can use x and ix to compute
the unwrapped coord yourself, as a post-processing step, if you like.