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document new features

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This commit is contained in:
Axel Kohlmeyer
2024-07-17 19:14:22 -04:00
parent 955db30b32
commit 2e2dc2abe5
1 changed files with 48 additions and 29 deletions
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doc/src/Howto_lammps_gui.rst
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@ -264,9 +264,17 @@ displays the images created by LAMMPS as they are written.
The various buttons at the bottom right of the window allow single The various buttons at the bottom right of the window allow single
stepping through the sequence of images or playing an animation (as a stepping through the sequence of images or playing an animation (as a
continuous loop or once from first to last). It is also possible to continuous loop or once from first to last). It is also possible to
zoom in or zoom out of the displayed images, and to export the slide zoom in or zoom out of the displayed images. The button on the very
show animation to a movie file, if `ffmpeg <https://ffmpeg.org/>`_ is left triggers an export of the slide show animation to a movie file,
installed. provided the `FFmpeg program <https://ffmpeg.org/>`_ is installed.
.. versionadded:: 1.6
When clicking on the "garbage can" icon, all image files used for the
slide show will be deleted. Since their number can be large for long
simulations, this allows to safely clean up clutter in the working
directory.
Variable Info Variable Info
------------- -------------
@ -298,26 +306,37 @@ record a log for each run attempt by using the command
at the beginning of an input file. That would record logs to files at the beginning of an input file. That would record logs to files
``logfile-1.txt``, ``logfile-2.txt``, and so on for successive runs. ``logfile-1.txt``, ``logfile-2.txt``, and so on for successive runs.
Viewing Snapshot Images Snapshot Image Viewer
----------------------- ---------------------
By selecting the ``Create Image`` entry in the ``Run`` menu, or by By selecting the ``Create Image`` entry in the ``Run`` menu, or by
hitting the `Ctrl-I` (`Command-I` on macOS) keyboard shortcut, or by hitting the `Ctrl-I` (`Command-I` on macOS) keyboard shortcut, or by
clicking on the "palette" button in the status bar, LAMMPS GUI will send clicking on the "palette" button in the status bar of the *Editor*
a custom :doc:`write_dump image <dump_image>` command to LAMMPS and read window, LAMMPS-GUI will send a custom :doc:`write_dump image
the resulting snapshot image with the current state of the system into <dump_image>` command to LAMMPS and read the resulting snapshot image
an image viewer window. This functionality is not available *during* an with the current state of the system into an image viewer window. This
ongoing run. When LAMMPS is not yet initialized, LAMMPS GUI will try to functionality is *not* available *during* an ongoing run since it is
identify the line with the first run or minimize command and execute all sending commands to LAMMPS. When LAMMPS is not yet initialized,
command up to that line from the input buffer and then add a "run 0" LAMMPS-GUI will try to identify the line with the first run or minimize
command. This will initialize the system so an image of the initial command and execute all commands up to that line from the input buffer
state of the system can be rendered. If there was an error, the and then add a "run 0" command. This will initialize the system so an
snapshot image viewer will not appear. image of the initial state of the system can be rendered. If there was
an error, the snapshot image viewer will not appear.
When possible, LAMMPS GUI will try to detect which elements the atoms .. versionadded: 1.6
correspond to (via their mass) and then colorize them in the image
accordingly. Otherwise the default predefined sequence of colors is Assignment of atom diameters from Lennard-Jones *sigma* values
assigned to the different atom types.
When possible, LAMMPS-GUI will try to detect which elements the atoms
correspond to (via their mass) and then colorize them in the image and
set their atom diameters accordingly. If this is not possible, for
instance when using reduced (= 'lj') :doc:`units <units>`, then
LAMMPS-GUI will check the current pair style and if it is a
Lennard-Jones potential from which it will extract the *sigma* parameter
for each atom type and assign atom diamaters from those numbers.
Otherwise the default predefined sequence of colors is assigned to the
different atom types and the diameters are all the same.
.. image:: JPG/lammps-gui-image.png .. image:: JPG/lammps-gui-image.png
:align: center :align: center
@ -339,21 +358,21 @@ may take several seconds. From the ``File`` menu of the image window,
the current image can be saved to a file or copied into the the current image can be saved to a file or copied into the
cut-n-paste buffer for pasting into another application. cut-n-paste buffer for pasting into another application.
Editor Functions Editor Window
---------------- -------------
The editor has most of the usual functionality that similar programs The *Editor* window of LAMMPS-GUI has most of the usual functionality
have: text selection via mouse or with cursor moves while holding the that similar programs have: text selection via mouse or with cursor
Shift key, Cut (`Ctrl-X`), Copy (`Ctrl-C`), Paste (`Ctrl-V`), Undo moves while holding the Shift key, Cut (`Ctrl-X`), Copy (`Ctrl-C`),
(`Ctrl-Z`), Redo (`Ctrl-Shift-Z`), Select All (`Ctrl-A`). When trying Paste (`Ctrl-V`), Undo (`Ctrl-Z`), Redo (`Ctrl-Shift-Z`), Select All
to exit the editor with a modified buffer, a dialog will pop up asking (`Ctrl-A`). When trying to exit the editor with a modified buffer, a
whether to cancel the exit operation, or to save or not save the buffer dialog will pop up asking whether to cancel the exit operation, or to
contents to a file. save or not save the buffer contents to a file.
Context Specific Word Completion Context Specific Word Completion
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
By default, LAMMPS GUI will display a small pop-up frame with possible By default, LAMMPS-GUI will display a small pop-up frame with possible
choices for LAMMPS input script commands or styles after 2 characters of choices for LAMMPS input script commands or styles after 2 characters of
a word have been typed. a word have been typed.