This is simple test-bench for verifying if a particular Lammps install works well by comparing the total and potential energies obtained from a NVE (constant energy) runs on a sample of N (~ 30) LJ particles, with a Shell group in-house MD code.
huachaoyang / lammps_local_density Goto Github PK
View Code? Open in Web Editor NEWtest bench for adding new potentials to Lammps
License: GNU General Public License v2.0