Hi all,
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
Thanks
Prathyusha
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.
Steve