Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
L
lammps
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Wiki
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Snippets
Build
Pipelines
Jobs
Pipeline schedules
Artifacts
Deploy
Releases
Container Registry
Model registry
Operate
Environments
Monitor
Incidents
Analyze
Value stream analytics
Contributor analytics
CI/CD analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
multiscale
lammps
Commits
c66ddf9a
Commit
c66ddf9a
authored
7 years ago
by
Ulf R. Pedersen
Committed by
GitHub
7 years ago
Browse files
Options
Downloads
Patches
Plain Diff
Update fix_rhok.txt
parent
285a123c
No related branches found
No related tags found
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
doc/src/fix_rhok.txt
+9
-13
9 additions, 13 deletions
doc/src/fix_rhok.txt
with
9 additions
and
13 deletions
doc/src/fix_rhok.txt
+
9
−
13
View file @
c66ddf9a
...
@@ -18,7 +18,9 @@ a = anchor point of bias potential :ul
...
@@ -18,7 +18,9 @@ a = anchor point of bias potential :ul
[Examples:]
[Examples:]
fix bias all rhok 16 0 0 4.0 16.0
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:]
[Description:]
...
@@ -27,20 +29,14 @@ The fix applies an force to atoms given by the potential
...
@@ -27,20 +29,14 @@ The fix applies an force to atoms given by the potential
:c,image(Eqs/fix_rhok.jpg)
:c,image(Eqs/fix_rhok.jpg)
as described in "(Pedersen)"_#Pedersen.
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|
This field, that bias configurations with long-range order,
thermo_style custom step temp pzz pe lz f_bias f_bias\[1\] f_bias\[2\] f_bias\[3\] :pre
can be used to study crystal-liquid interfaces
to the input script.
This field that bias long-range order
can be used to study crystal-liquid interfaces,
and determine melting temperatures "(Pedersen)"_#Pedersen.
and determine melting temperatures "(Pedersen)"_#Pedersen.
The folder {examples/pinning} of the source code
contains an example of using the interface pinning method
An example of using the interface pinning method
on the Lennard-Jones system.
is located in the folder
{examples/USER/pinning} of the source code to LAMMPS.
[Restrictions:]
[Restrictions:]
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment