10.25950/58932793
Tadmor, Ellad
Ellad
Tadmor
0000-0003-3311-6299
Lennard-Jones, John
John
Lennard-Jones
Driver for the Lennard-Jones model truncated to have zero energy beyond the cutoff radius v001
OpenKIM
2018
Software
OpenKIM
Model Driver
MD_132729421025_001
Ellad B. Tadmor
OpenKIM
2018
MD_132729421025_001
LJ_Truncated__MD_132729421025_001
https://openkim.org/cite/MD_132729421025_001
This is a driver for the Lennard-Jones (LJ) 6-12 pair potential model, truncated to have zero energy above a specified cutoff radius. As a result the energy and its derivatives will be discontinuous at the cutoff radius. The driver reads in the cutoff radius and the LJ parameters energy (in eV) and sigma (in Angstrom).