From 93d40f494fbbfca2ddfd36389fd00f06e4a78076 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 18 Jul 2024 00:06:51 -0400 Subject: [PATCH] revise documentation for changes in version 1.6 --- doc/src/Howto_lammps_gui.rst | 293 ++++++++++++++++++---------------- doc/src/Tools.rst | 6 +- tools/lammps-gui/lammpsgui.ui | 2 +- 3 files changed, 156 insertions(+), 145 deletions(-) diff --git a/doc/src/Howto_lammps_gui.rst b/doc/src/Howto_lammps_gui.rst index e6057883b7..19df68cfc2 100644 --- a/doc/src/Howto_lammps_gui.rst +++ b/doc/src/Howto_lammps_gui.rst @@ -64,12 +64,12 @@ channels as for LAMMPS itself ` for that purpose. ----- -Main window ------------ +Starting LAMMPS-GUI +------------------- -When LAMMPS-GUI starts, it will show a main window, the editor, with -either an empty buffer or the contents of a loaded file. In the latter -case it may look like the following: +When LAMMPS-GUI starts, it shows the main window, labeled *Editor*, with +either an empty buffer or the contents of the file used as argument. In +the latter case it may look like the following: .. image:: JPG/lammps-gui-main.png :align: center @@ -82,23 +82,23 @@ the LAMMPS input file syntax. The status bar shows the status of LAMMPS execution on the left (e.g. "Ready." when idle) and the current working directory on the right. The name of the current file in the buffer is shown in the window title; the word `*modified*` is added if -the buffer edits have not yet saved to a file. The size of the main -window will be stored when exiting and restored when starting again. +the buffer edits have not yet saved to a file. The geometry of the main +window is stored when exiting and restored when starting again. Opening Files ^^^^^^^^^^^^^ -The LAMMPS-GUI application will try to open the first command line -argument as a LAMMPS input script, further arguments are ignored. -When no argument is given, LAMMPS-GUI will start with an empty buffer. -Files can also be opened via the ``File`` menu or by drag-and-drop of -a file from a graphical file manager into the editor window. Only one -file can be edited at a time, so opening a new file with a filled buffer -will close that buffer. If the buffer has unsaved modifications, you -will be asked to either cancel the operation, discard the changes, or -save them. A buffer with modifications can be saved any time from the -"File" menu, by the keyboard shortcut `Ctrl-S` (`Command-S` on macOS), -or by clicking on the "Save" button at the very left in the status bar. +The LAMMPS-GUI application tries to open the first command line argument +as a LAMMPS input script, further arguments are ignored. When no +argument is given, LAMMPS-GUI starts with an empty buffer. Files can +also be opened via the ``File`` menu or by drag-and-drop of a file from +a graphical file manager into the editor window. Only one file can be +edited at a time, so opening a new file with a filled buffer closes that +buffer. If the buffer has unsaved modifications, you are asked to +either cancel the operation, discard the changes, or save them. A +buffer with modifications can be saved any time from the "File" menu, by +the keyboard shortcut `Ctrl-S` (`Command-S` on macOS), or by clicking on +the "Save" button at the very left in the status bar. Running LAMMPS ^^^^^^^^^^^^^^ @@ -107,7 +107,7 @@ From within the LAMMPS-GUI main window LAMMPS can be started either from the ``Run`` menu using the ``Run LAMMPS from Editor Buffer`` entry, by the keyboard shortcut `Ctrl-Enter` (`Command-Enter` on macOS), or by clicking on the green "Run" button in the status bar. All of these -operations will cause LAMMPS to process the entire input script in the +operations causes LAMMPS to process the entire input script in the editor buffer, which may contain multiple :doc:`run ` or :doc:`minimize ` commands. @@ -132,29 +132,30 @@ before LAMMPS can be run from a file. While LAMMPS is running, the contents of the status bar change. On the left side there is a text indicating that LAMMPS is running, which -will also show the number of active threads, if thread-parallel +also indicates the number of active threads, when thread-parallel acceleration was selected in the ``Preferences`` dialog. On the right side, a progress bar is shown that displays the estimated progress for the current :doc:`run ` or :doc:`minimize ` command. -Also, the line number of the currently executed command will be -highlighted in green. +Also, the line number of the currently executed command is highlighted +in green. If an error occurs (in the example below the command :doc:`label