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