fix_rhok.txt
6dd55e49cbc4lammm-devel

fix_rhok.txt
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			"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

			:link(lws,http://lammps.sandia.gov)
			:link(ld,Manual.html)
			:link(lc,Section_commands.html#comm)

			:line

			fix rhok command :h3

			fix ID group-ID rhok nx ny nz K a :pre

			ID, group-ID are documented in "fix"_fix.html command
			nx, ny, nz = k-vektor of collective density field
			K = spring constant of bias potential
			a = anchor point of bias potential :ul

			[Examples:]

			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\[1\] f_bias\[2\] f_bias\[3\] :pre

			[Description:]

			The fix applies a force to atoms given by the potential

			:c,image(Eqs/fix_rhok.jpg)

			as described in "(Pedersen)"_#Pedersen.

			This field, which biases configurations with long-range order, can be
			used to study crystal-liquid interfaces and determine melting
			temperatures "(Pedersen)"_#Pedersen.

			An example of using the interface pinning method is located in the
			{examples/USER/misc/rhok} directory.

			[Restrictions:]

			This fix is part of the MISC package. It is only enabled if LAMMPS
			was built with that package. See the "Making
			LAMMPS"_Section_start.html#start_3 section for more info.

			[Related commands:]

			"thermo_style"_thermo_style.html

			[Default:] none

			:line

			:link(Pedersen)
			[(Pedersen)] Pedersen, J. Chem. Phys., 139, 104102 (2013).