update docs

This commit is contained in:
Axel Kohlmeyer
2023-09-29 18:53:18 -04:00
parent 1689c306b6
commit e7b9bc2d4f

View File

@ -172,17 +172,19 @@ be seen in the command line window, as shown below.
LAMMPS GUI captures the screen output as it is generated and updates
the log window regularly during a run.
By default, there will be a new window for each run, so that it is
possible to visually compare outputs from different runs. It is also
possible to change the behavior of LAMMPS GUI in the preferences dialog
to *replace* an existing log window for a new run or to not show the log
window by default. It is also possible to show or hide the current log
window from the ``View`` menu.
By default, the log window will be replaced each time a run is started.
The runs are counted and the run number for the current run is displayed
in the window title. It is possible to change the behavior of LAMMPS
GUI in the preferences dialog to create a *new* log window for every run
or to not show the current log window. It is also possible to show or
hide the *current* log window from the ``View`` menu.
The text in the log window is read-only and cannot be modified, but
editor commands to select and copy all or parts of the text can be used.
The "Select All" and "Copy" functions are also available via a context
menu by clicking with the right mouse button.
editor hotkeys to select and copy all or parts of the text can be used
to transfer text to another editor program. The "Select All" and "Copy"
functions, as well as a "Save Log to File" option are also available via
a context menu by clicking with the right mouse button into the log
window text area.
Chart Window
------------
@ -199,10 +201,16 @@ The drop down menu on the top right allows selection of different
properties that are computed and written to thermo output. Only one
property can be shown at a time. The plots will be updated with new
data as the run progresses, so they can be used to visually monitor the
evolution of available properties. From the ``File`` menu on the top
left, it is possible to save an image of the currently displayed plot or
export the data in either plain text columns (for use by plotting tools
like `gnuplot <http://www.gnuplot.info/>`_ or `grace
evolution of available properties. The window title will show the
current run number that this chart window corresponds to. Same as
explained for the log window above, by default, the chart window will
be replaced on each new run, but the behavior can be changed in the
preferences dialog.
From the ``File`` menu on the top left, it is possible to save an image
of the currently displayed plot or export the data in either plain text
columns (for use by plotting tools like `gnuplot
<http://www.gnuplot.info/>`_ or `grace
<https://plasma-gate.weizmann.ac.il/Grace/>`_), or as CSV data which can
be imported for further processing with Microsoft Excel or `pandas
<https://pandas.pydata.org/>`_
@ -230,8 +238,7 @@ 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
zoom in or zoom out of the displayed images, and to export the slide
show animation to a movie file, if `ffmpeg <https://ffmpeg.org/>`_ is
installed. The slide show window will be closed when a new file is
loaded.
installed.
Variable Info
-------------
@ -252,6 +259,17 @@ during a run. It will show "(none)" if there are no variables
defined. Note that it is also possible to *set* :doc:`index style
variables <variable>`, that would normally be set via command line
flags, via the "Set Variables..." dialog from the ``Run`` menu.
LAMMPS GUI will automatically set the variable "gui_run" to the
current value of the run counter. That way it would be possible
to automatically record a log for each run attempt by using the
command
.. code-block:: LAMMPS
log logfile-${gui_run}.txt
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.
Viewing Snapshot Images
-----------------------
@ -518,7 +536,7 @@ General Settings:
- *Replace image window on new render:* when checked, an existing
chart window will be replaced when a new snapshot image is requested,
otherwise each command will create a new image window.
- *Path to LAMMPS Shared Library File:* this options is only available
- *Path to LAMMPS Shared Library File:* this option is only visible
when LAMMPS GUI was compiled to load the LAMMPS library at run time
instead of being linked to it directly. With the ``Browse..`` button
or by changing the text, a different shared library file with a