Simulation files
LAMMPS coordinate unwrapper
Export selected-snapshot coordinates unwrapped with explicit image flags.
Your inputs
Start with an exampleYour result
Example resultAa — A small example of your colors.
How it works
Recover the cell origin/vectors from orthogonal or restricted triclinic bounds. Convert scaled positions if needed, then add ix×A + iy×B + iz×C.
At x=1 in a ten-unit box with ix=1, unwrapped x is 11. The sample’s first z=9 and iz=−1 gives −21.
Limits
Up to 1000 snapshots and 20000 atoms per snapshot within the text limit. Explicit id/ix/iy/iz columns are required. General triclinic dumps, extra ITEM sections and trajectory inference are excluded; native simulation units are retained.