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Merge branch 'collected-small-fixes' of github.com:akohlmey/lammps into collected-small-fixes

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Axel Kohlmeyer
2025-04-11 12:34:45 -04:00
parent 190ecd2666 90797c7b62
commit 02c627db82
3 changed files with 27 additions and 17 deletions
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41
doc/src/Howto_lammps_gui.rst
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@ -481,22 +481,31 @@ types.
|gui-image1| |gui-image2| |gui-image1| |gui-image2|
The default image size, some default image quality settings, the view The default image size, some default image quality settings, the view
style and some colors can be changed in the *Preferences* dialog style and some colors can be changed in the *Preferences* dialog window.
window. From the image viewer window further adjustments can be made: From the image viewer window further adjustments can be made: actual
actual image size, high-quality (SSAO) rendering, anti-aliasing, view image size, high-quality (SSAO) rendering, anti-aliasing, view style,
style, display of box or axes, zoom factor. The view of the system can display of box or axes, zoom factor. The view of the system can be
be rotated horizontally and vertically. It is also possible to only rotated horizontally and vertically.
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 It is also possible to display only the atoms within a :doc:`group
selected group. After each change, the image is rendered again and the defined in the input script <group>` (default is "all"). The available
display updated. The small palette icon on the top left is colored groups can be selected from the drop down list next to the "Group:"
while LAMMPS is running to render the new image; it is grayed out when label. Similarly, if there are :doc:`molecules defined in the input
LAMMPS is finished. When there are many atoms to render and high <molecule>`, it is possible to select one of them (default is "none")
quality images with anti-aliasing are requested, re-rendering may take and visualize it (it will be shown at the center of the simulation box).
several seconds. From the *File* menu of the image window, the While a molecule is selected, the group selection is disabled. It can
current image can be saved to a file (keyboard shortcut `Ctrl-S`) or be restored by selecting the molecule "none".
copied to the clipboard (keyboard shortcut `Ctrl-C`) for pasting the
image into another application. 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 From the *File* menu it is also possible to copy the current
:doc:`dump image <dump_image>` and :doc:`dump_modify <dump_image>` :doc:`dump image <dump_image>` and :doc:`dump_modify <dump_image>`

2
doc/src/Python_launch.rst
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@ -1,7 +1,7 @@
Running LAMMPS and Python in serial Running LAMMPS and Python in serial
----------------------------------- -----------------------------------
To run a LAMMPS in serial, type these lines into Python To run a LAMMPS input in serial, type these lines into Python
interactively from the ``bench`` directory: interactively from the ``bench`` directory:
.. code-block:: python .. code-block:: python

1
tools/lammps-gui/lammps-gui.appdata.xml
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@ -59,6 +59,7 @@
<description> <description>
Change working directory to user's home dir if initial directory is "/" or the Application folder 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 preferences option to set https proxy, if not already set via environment variable
Add option to visualize molecules defined through the molecule command
</description> </description>
</release> </release>
<release version="1.6.12" timestamp="1734890080"> <release version="1.6.12" timestamp="1734890080">