Simulation files
LAMMPS lj/cut coefficient trace
Trace explicit pair assignments, wildcard overrides and cutoff resets.
Your inputs
Start with an exampleYour result
Example resultHow it works
Apply canonical type selectors to upper-triangle pairs, swapping only reversed numeric single selectors. Later coefficient commands replace explicit values. Every same-style lj/cut settings call resets all assigned cutoffs, preserving coefficient values and their separate source lines.
The example assigns all six type pairs, overrides 2–3 and 3–3, resets every assigned cutoff to 8, then replaces pair 1–3. Its epsilon/sigma source and cutoff source can therefore differ.
Limits
Pre-expanded lj/cut fragments only, with an initial pair_style lj/cut cutoff. Up to 128 types, 1000 effective commands, 1 MiB input and 500000 cumulative pair writes/settings resets; 16 MiB report cap. Space/tab tokens and first-# comments; finite decimal/scientific values with magnitude up to 1e12. Quotes, variables, continuations, labels, includes, hybrid/accelerator styles and file-loaded state are unsupported. Unassigned pairs remain unknown because native mixing and initialization are not run. No units, force, energy or physical-validity judgement.