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Modify & extend LAMMPS

LAMMPS is designed in a modular fashion so as to be easy to modify and extend with new functionality. In fact, about 95% of its source code is add-on files. These doc pages give basic instructions on how to do this.

If you add a new feature to LAMMPS and think it will be of interest to general users, we encourage you to submit it for inclusion in LAMMPS as a pull request on our GitHub site, after reading the Modify contribute doc page.

Overview
Submitting new features for inclusion in LAMMPS
Atom styles
Pair styles
Bond, angle, dihedral, improper styles
Compute styles
Fix styles
Input script command styles
Dump styles
Kspace styles
Minimization styles
Region styles
Body styles
Thermodynamic output options
Variable options