fix rhok command
fix ID group-ID rhok nx ny nz K a
- ID, group-ID are documented in fix command
- nx, ny, nz = k-vektor of collective density field
- K = spring constant of bias potential
- a = anchor point of bias potential
fix bias all rhok 16 0 0 4.0 16.0 fix 1 all npt temp 0.8 0.8 4.0 z 2.2 2.2 8.0 # output of 4 values from fix rhok: U_bias rho_k_RE rho_k_IM |rho_k| thermo_style custom step temp pzz lz f_bias f_bias f_bias f_bias
The fix applies a force to atoms given by the potential
as described in (Pedersen).
This field, which biases configurations with long-range order, can be used to study crystal-liquid interfaces and determine melting temperatures (Pedersen).
An example of using the interface pinning method is located in the examples/USER/misc/rhok directory.
This fix is part of the MISC package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.