From c66ddf9ac0e8c0c256a14220a80395ab581db31e Mon Sep 17 00:00:00 2001 From: "Ulf R. Pedersen" Date: Fri, 29 Sep 2017 08:03:02 +0200 Subject: [PATCH] Update fix_rhok.txt --- doc/src/fix_rhok.txt | 22 +++++++++------------- 1 file changed, 9 insertions(+), 13 deletions(-) diff --git a/doc/src/fix_rhok.txt b/doc/src/fix_rhok.txt index 8d3e5dcb17..5046303329 100644 --- a/doc/src/fix_rhok.txt +++ b/doc/src/fix_rhok.txt @@ -18,7 +18,9 @@ a = anchor point of bias potential :ul [Examples:] fix bias all rhok 16 0 0 4.0 16.0 -fix bias Bs rhok 12 12 0 10.0 24.0 :pre +fix 1 all npt temp 0.8 0.8 4.0 z 2.2 2.2 8.0 +# output 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:] @@ -27,20 +29,14 @@ The fix applies an force to atoms given by the potential :c,image(Eqs/fix_rhok.jpg) as described in "(Pedersen)"_#Pedersen. -The energy and the value of the -collective density field can be written by including -# output U_bias rho_k_RE rho_k_IM |rho_k| -thermo_style custom step temp pzz pe lz f_bias f_bias\[1\] f_bias\[2\] f_bias\[3\] :pre - -to the input script. - -This field that bias long-range order -can be used to study crystal-liquid interfaces, +This field, that bias configurations with long-range order, +can be used to study crystal-liquid interfaces and determine melting temperatures "(Pedersen)"_#Pedersen. -The folder {examples/pinning} of the source code -contains an example of using the interface pinning method -on the Lennard-Jones system. + +An example of using the interface pinning method +is located in the folder +{examples/USER/pinning} of the source code to LAMMPS. [Restrictions:]