small tweak to refer to LAMMPS-GUI more consistently

This commit is contained in:
Axel Kohlmeyer
2024-07-27 00:19:21 -04:00
parent 06563b8255
commit 8b0aaa814e

View File

@ -1,5 +1,5 @@
Using the LAMMPS-GUI Using LAMMPS-GUI
==================== ================
This document describes **LAMMPS-GUI version 1.6**. This document describes **LAMMPS-GUI version 1.6**.
@ -21,7 +21,7 @@ to the online LAMMPS documentation for known LAMMPS commands and styles.
later), and Windows (version 10 or later) :ref:`are available later), and Windows (version 10 or later) :ref:`are available
<lammps_gui_install>` for download. None-MPI LAMMPS executables of <lammps_gui_install>` for download. None-MPI LAMMPS executables of
the same LAMMPS version are included in these packages as well. The the same LAMMPS version are included in these packages as well. The
source code for the LAMMPS-GUI is included in the LAMMPS source code source code for LAMMPS-GUI is included in the LAMMPS source code
distribution and can be found in the ``tools/lammps-gui`` folder. It distribution and can be found in the ``tools/lammps-gui`` folder. It
can be compiled alongside LAMMPS when :doc:`compiling with CMake can be compiled alongside LAMMPS when :doc:`compiling with CMake
<Build_cmake>`. <Build_cmake>`.
@ -35,18 +35,17 @@ but just rolled into a single executable:
- use or extract data from the created files and visualize it with - use or extract data from the created files and visualize it with
either a molecular visualization program or a plotting program either a molecular visualization program or a plotting program
That procedure is quite effective for people proficient in using the That procedure is quite effective for people proficient in using the
command line, as that allows them to use tools for the individual steps command line, as that allows them to use tools for the individual steps
that they are most comfortable with. It is often *required* to adopt that they are most comfortable with. It is often *required* to adopt
this workflow when running LAMMPS simulations on high-performance this workflow when running LAMMPS simulations on high-performance
computing facilities. computing facilities.
The main benefit of using the LAMMPS-GUI application instead is that The main benefit of using LAMMPS-GUI is that many basic tasks can be
many basic tasks can be done directly from the GUI without switching to done directly from the GUI without switching to a text console window
a text console window or using external programs, let alone writing or using external programs, let alone writing scripts to extract data
scripts to extract data from the generated output. It also integrates from the generated output. It also integrates well with graphical
well with graphical desktop environments. desktop environments.
LAMMPS-GUI thus makes it easier for beginners to get started running LAMMPS-GUI thus makes it easier for beginners to get started running
simple LAMMPS simulations. It is very suitable for tutorials on LAMMPS simple LAMMPS simulations. It is very suitable for tutorials on LAMMPS
@ -58,7 +57,7 @@ visualization and analysis tools, and run LAMMPS from the command line
or a batch script. or a batch script.
The following text provides a detailed tour of the features and The following text provides a detailed tour of the features and
functionality of the LAMMPS-GUI. Suggestions for new features and functionality of LAMMPS-GUI. Suggestions for new features and
reports of bugs are always welcome. You can use the :doc:`the same reports of bugs are always welcome. You can use the :doc:`the same
channels as for LAMMPS itself <Errors_bugs>` for that purpose. channels as for LAMMPS itself <Errors_bugs>` for that purpose.
@ -437,7 +436,7 @@ Context Specific Help
|gui-popup1| |gui-popup2| |gui-popup1| |gui-popup2|
A unique feature of the LAMMPS-GUI is the option to look up the A unique feature of LAMMPS-GUI is the option to look up the LAMMPS
documentation for the command in the current line. This can be done by documentation for the command in the current line. This can be done by
either clicking the right mouse button or by using the `Ctrl-?` keyboard either clicking the right mouse button or by using the `Ctrl-?` keyboard
shortcut. When using the mouse, there are additional entries in the shortcut. When using the mouse, there are additional entries in the
@ -541,12 +540,12 @@ in an ``Image Viewer`` window.
The ``View in OVITO`` entry will launch `OVITO <https://ovito.org>`_ The ``View in OVITO`` entry will launch `OVITO <https://ovito.org>`_
with a :doc:`data file <write_data>` containing the current state of with a :doc:`data file <write_data>` containing the current state of
the system. This option is only available if the LAMMPS-GUI can find the system. This option is only available if LAMMPS-GUI can find
the OVITO executable in the system path. the OVITO executable in the system path.
The ``View in VMD`` entry will launch VMD with a :doc:`data file The ``View in VMD`` entry will launch VMD with a :doc:`data file
<write_data>` containing the current state of the system. This option <write_data>` containing the current state of the system. This option
is only available if the LAMMPS-GUI can find the VMD executable in the is only available if LAMMPS-GUI can find the VMD executable in the
system path. system path.
View View
@ -579,8 +578,8 @@ Preferences
----------- -----------
The ``Preferences`` dialog allows customization of the behavior and The ``Preferences`` dialog allows customization of the behavior and
look of the LAMMPS-GUI application. The settings are grouped and each look of LAMMPS-GUI. The settings are grouped and each group is
group is displayed within a tab. displayed within a tab.
.. |guiprefs1| image:: JPG/lammps-gui-prefs-general.png .. |guiprefs1| image:: JPG/lammps-gui-prefs-general.png
:width: 24% :width: 24%