lj minimize 2d.

Constrain force and velocity components outside the 2D plane.

Initial temperature used to draw atom velocities in LJ units.

Validation {.} >= 0

Number of integration timesteps before any minimization phase.

Validation {.} >= 0

Thermodynamic output interval during the dynamics run.

Validation {.} > 0

Random seed for reproducible initial velocities.

Validation {.} > 0

Mass of the sole atom type in reduced LJ units.

Validation {.} > 0

Spatial dimension; the melt uses the 3D default and the minimization example uses 2D.

Reduced number density passed to the lattice command.

Validation {.} > 0

Lattice geometry used to create the initial atoms.

Upper x coordinate of the simulation box in lattice units.

Lower x coordinate of the simulation box in lattice units.

Upper y coordinate of the simulation box in lattice units.

Lower y coordinate of the simulation box in lattice units.

Upper z coordinate; 2D LAMMPS still needs a finite z extent.

Lower z coordinate; 2D LAMMPS still needs a finite z extent.

Distance cutoff for the LJ pair style and pair coefficient.

Validation {.} > 0

LJ energy scale epsilon in reduced units.

Validation {.} > 0

Whether to check atom motion before rebuilding the neighbor list.

Minimum delay before a neighbor-list rebuild.

Validation {.} >= 0

Neighbor-list rebuild check interval in timesteps.

Validation {.} > 0

Extra neighbor-list skin distance in LJ length units.

Validation {.} > 0

Shift the pair potential to zero at the cutoff.

LJ length scale sigma in reduced units.

Validation {.} > 0

Energy convergence tolerance for minimization.

Validation {.} >= 0

Force convergence tolerance for minimization.

Validation {.} >= 0

Maximum force/energy evaluations.

Validation {.} > 0

Maximum optimizer iterations.

Validation {.} > 0

Thermodynamic output interval during minimization.

Validation {.} > 0