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potential

Syntax

potential potential_type
  • potential_type = lj or eam
    lj is the Lennard-Johns potential
    eam is the embedded-atom method potential
    

Examples

potential lj
potential eam

Description

This command sets the interatomic potentials. Currently, a CAC simulation accepts two potential_style: Lennard-Johns (lj) and embedded-atom method (eam) potentials. One file for the lj potential and four files for the eam potential, respectively, should be provided as input.

None.

potential.f90, eam_tab.f90, deriv_tab.f90, and lj_para.f90.

Default

None.