/kernelsMD

Primary LanguageC++

Installation:

  1. cp USER-DCS your_lammps_directory/src
  2. cd USER-DCS
  3. ./Install.sh 1 1

Usage:

Please see input script:

fix ID group-ID TransientResponseOMP group-ID_of_virtual_atoms spring-constant/mass 0 0 0 1 mode

Publication / Citation

If you find this code useful please cite us in your work:

  1. Lee CS, Chen YY, Yu CH, Hsu YC, Chen CS. Semi-analytical solution for the generalized absorbing boundary condition in molecular dynamics simulations. Comput Mech. 2017;60(1):23-37. doi:10.1007/s00466-017-1389-0