tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

document that also molecules from the molecule command can be visualized

Browse Source
This commit is contained in:
Axel Kohlmeyer
2025-04-10 11:51:13 -04:00
parent 83c785740b
commit 90797c7b62
2 changed files with 26 additions and 16 deletions
Download Patch File Download Diff File Expand all files Collapse all files

41
doc/src/Howto_lammps_gui.rst
View File

@ -481,22 +481,31 @@ types.
|gui-image1| |gui-image2|
The default image size, some default image quality settings, the view
style and some colors can be changed in the *Preferences* dialog
window. From the image viewer window further adjustments can be made:
actual image size, high-quality (SSAO) rendering, anti-aliasing, view
style, display of box or axes, zoom factor. The view of the system can
be rotated horizontally and vertically. It is also possible to only
display the atoms within a group defined in the input script (default is
"all"). The image can also be re-centered on the center of mass of the
selected group. After each change, the image is rendered again and the
display updated. The small palette icon on the top left is colored
while LAMMPS is running to render the new image; it is grayed out when
LAMMPS is finished. When there are many atoms to render and high
quality images with anti-aliasing are requested, re-rendering may take
several seconds. From the *File* menu of the image window, the
current image can be saved to a file (keyboard shortcut `Ctrl-S`) or
copied to the clipboard (keyboard shortcut `Ctrl-C`) for pasting the
image into another application.
style and some colors can be changed in the *Preferences* dialog window.
From the image viewer window further adjustments can be made: actual
image size, high-quality (SSAO) rendering, anti-aliasing, view style,
display of box or axes, zoom factor. The view of the system can be
rotated horizontally and vertically.
It is also possible to display only the atoms within a :doc:`group
defined in the input script <group>` (default is "all"). The available
groups can be selected from the drop down list next to the "Group:"
label. Similarly, if there are :doc:`molecules defined in the input
<molecule>`, it is possible to select one of them (default is "none")
and visualize it (it will be shown at the center of the simulation box).
While a molecule is selected, the group selection is disabled. It can
be restored by selecting the molecule "none".
The image can also be re-centered on the center of mass of the selected
group. After each change, the image is rendered again and the display
updated. The small palette icon on the top left is colored while LAMMPS
is running to render the new image; it is grayed out when LAMMPS is
finished. When there are many atoms to render and high quality images
with anti-aliasing are requested, re-rendering may take several seconds.
From the *File* menu of the image window, the current image can be saved
to a file (keyboard shortcut `Ctrl-S`) or copied to the clipboard
(keyboard shortcut `Ctrl-C`) for pasting the image into another
application.
From the *File* menu it is also possible to copy the current
:doc:`dump image <dump_image>` and :doc:`dump_modify <dump_image>`

1
tools/lammps-gui/lammps-gui.appdata.xml
View File

@ -59,6 +59,7 @@
<description>
Change working directory to user's home dir if initial directory is "/" or the Application folder
Add preferences option to set https proxy, if not already set via environment variable
Add option to visualize molecules defined through the molecule command
</description>
</release>
<release version="1.6.12" timestamp="1734890080">