system/include/utils

namespace feasst

Functions

System two_particle_system(const argtype &args = argtype())

Return a system with two Lennard-Jones particles.

args:

  • cubic_box_length: default 6

System lennard_jones(const argtype &args = argtype())

Return a Lennard-Jones system

args:

  • cubic_box_length: default 8

  • particle: default forcefield/data.lj

  • lrc: use long range corrections (default: true)

  • dual_cut: Add a reference potential using this short cutoff with a cell list. If -1, ignore. (default: -1).