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Update fix_rhok.txt

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Ulf R. Pedersen 2017-09-29 08:03:02 +02:00 committed by GitHub
parent 285a123c90
commit c66ddf9ac0
1 changed files with 9 additions and 13 deletions
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22
doc/src/fix_rhok.txt
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@ -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:]