revise documentation for changes in version 1.6
This commit is contained in:
Axel Kohlmeyer
@ -64,12 +64,12 @@ channels as for LAMMPS itself <Errors_bugs>` for that purpose.
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-----
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Main window
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-----------
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Starting LAMMPS-GUI
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-------------------
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When LAMMPS-GUI starts, it will show a main window, the editor, with
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either an empty buffer or the contents of a loaded file. In the latter
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case it may look like the following:
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When LAMMPS-GUI starts, it shows the main window, labeled *Editor*, with
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either an empty buffer or the contents of the file used as argument. In
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the latter case it may look like the following:
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.. image:: JPG/lammps-gui-main.png
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:align: center
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@ -82,23 +82,23 @@ the LAMMPS input file syntax. The status bar shows the status of
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LAMMPS execution on the left (e.g. "Ready." when idle) and the current
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working directory on the right. The name of the current file in the
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buffer is shown in the window title; the word `*modified*` is added if
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the buffer edits have not yet saved to a file. The size of the main
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window will be stored when exiting and restored when starting again.
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the buffer edits have not yet saved to a file. The geometry of the main
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window is stored when exiting and restored when starting again.
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Opening Files
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^^^^^^^^^^^^^
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The LAMMPS-GUI application will try to open the first command line
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argument as a LAMMPS input script, further arguments are ignored.
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When no argument is given, LAMMPS-GUI will start with an empty buffer.
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Files can also be opened via the ``File`` menu or by drag-and-drop of
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a file from a graphical file manager into the editor window. Only one
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file can be edited at a time, so opening a new file with a filled buffer
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will close that buffer. If the buffer has unsaved modifications, you
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will be asked to either cancel the operation, discard the changes, or
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save them. A buffer with modifications can be saved any time from the
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"File" menu, by the keyboard shortcut `Ctrl-S` (`Command-S` on macOS),
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or by clicking on the "Save" button at the very left in the status bar.
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The LAMMPS-GUI application tries to open the first command line argument
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as a LAMMPS input script, further arguments are ignored. When no
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argument is given, LAMMPS-GUI starts with an empty buffer. Files can
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also be opened via the ``File`` menu or by drag-and-drop of a file from
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a graphical file manager into the editor window. Only one file can be
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edited at a time, so opening a new file with a filled buffer closes that
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buffer. If the buffer has unsaved modifications, you are asked to
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either cancel the operation, discard the changes, or save them. A
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buffer with modifications can be saved any time from the "File" menu, by
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the keyboard shortcut `Ctrl-S` (`Command-S` on macOS), or by clicking on
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the "Save" button at the very left in the status bar.
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Running LAMMPS
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^^^^^^^^^^^^^^
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@ -107,7 +107,7 @@ From within the LAMMPS-GUI main window LAMMPS can be started either from
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the ``Run`` menu using the ``Run LAMMPS from Editor Buffer`` entry, by
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the keyboard shortcut `Ctrl-Enter` (`Command-Enter` on macOS), or by
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clicking on the green "Run" button in the status bar. All of these
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operations will cause LAMMPS to process the entire input script in the
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operations causes LAMMPS to process the entire input script in the
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editor buffer, which may contain multiple :doc:`run <run>` or
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:doc:`minimize <minimize>` commands.
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@ -132,29 +132,30 @@ before LAMMPS can be run from a file.
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While LAMMPS is running, the contents of the status bar change. On
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the left side there is a text indicating that LAMMPS is running, which
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will also show the number of active threads, if thread-parallel
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also indicates the number of active threads, when thread-parallel
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acceleration was selected in the ``Preferences`` dialog. On the right
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side, a progress bar is shown that displays the estimated progress for
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the current :doc:`run <run>` or :doc:`minimize <minimize>` command.
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Also, the line number of the currently executed command will be
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highlighted in green.
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Also, the line number of the currently executed command is highlighted
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in green.
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If an error occurs (in the example below the command :doc:`label
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<label>` was incorrectly capitalized as "Label"), an error message
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dialog will be shown and the line of the input which triggered the
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error will be highlighted. The state of LAMMPS in the status bar will
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be set to "Failed." instead of "Ready."
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dialog is shown and the line of the input which triggered the error is
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highlighted. The state of LAMMPS in the status bar is set to "Failed."
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instead of "Ready."
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.. image:: JPG/lammps-gui-run-error.png
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:align: center
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:scale: 75%
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Up to three additional windows will open during a run:
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Up to three additional windows may open during a run:
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- an *Output* window with the captured screen output
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- a *Charts* window with a line graph created from the thermodynamic output of the run
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- an *Output* window with the captured screen output from LAMMPS
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- a *Charts* window with a line graph created from thermodynamic output of the run
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- a *Slide Show* window with images created by a :doc:`dump image command <dump_image>`
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in the input
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More information on those windows and how to adjust their behavior and
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contents is given below.
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@ -174,9 +175,9 @@ understand the implications of this operation.
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Output Window
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-------------
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By default, when starting a run, an *Output* window will open that
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displays the screen output of the running LAMMPS calculation. This text
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would normally be seen in the command line window, as shown below.
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By default, when starting a run, an *Output* window opens that displays
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the screen output of the running LAMMPS calculation, as shown below.
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This text would normally be seen in the command line window.
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.. image:: JPG/lammps-gui-log.png
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:align: center
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@ -185,12 +186,13 @@ would normally be seen in the command line window, as shown below.
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LAMMPS-GUI captures the screen output from LAMMPS as it is generated and
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updates the *Output* window regularly during a run.
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By default, the *Output* window will be replaced each time a run is started.
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By default, the *Output* window is replaced each time a run is started.
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The runs are counted and the run number for the current run is displayed
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in the window title. It is possible to change the behavior of LAMMPS
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GUI in the preferences dialog to create a *new* *Output* window for every run
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or to not show the current *Output* window. It is also possible to show or
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hide the *current* *Output* window from the ``View`` menu.
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in the window title. It is possible to change the behavior of
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LAMMPS-GUI in the preferences dialog to create a *new* *Output* window
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for every run or to not show the current *Output* window. It is also
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possible to show or hide the *current* *Output* window from the ``View``
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menu.
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The text in the *Output* window is read-only and cannot be modified, but
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keyboard shortcuts to select and copy all or parts of the text can be
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@ -217,9 +219,8 @@ text area.
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Charts Window
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-------------
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By default, when starting a run, a *Charts* window will open that
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displays a plot of thermodynamic output of the LAMMPS calculation as
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shown below.
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By default, when starting a run, a *Charts* window opens that displays a
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plot of thermodynamic output of the LAMMPS calculation as shown below.
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.. image:: JPG/lammps-gui-chart.png
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:align: center
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@ -227,13 +228,12 @@ shown below.
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The drop down menu on the top right allows selection of different
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properties that are computed and written to thermo output. Only one
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property can be shown at a time. The plots will be updated with new
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data as the run progresses, so they can be used to visually monitor the
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evolution of available properties. The window title will show the
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current run number that this chart window corresponds to. Same as
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explained for the *Output* window above, by default, the chart window will
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be replaced on each new run, but the behavior can be changed in the
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preferences dialog.
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property can be shown at a time. The plots are updated with new data as
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the run progresses, so they can be used to visually monitor the
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evolution of available properties. The window title shows the current
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run number that this chart window corresponds to. Same as for the
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*Output* window, the chart window is replaced on each new run, but the
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behavior can be changed in the preferences dialog.
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From the ``File`` menu on the top left, it is possible to save an image
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of the currently displayed plot or export the data in either plain text
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@ -243,19 +243,20 @@ columns (for use by plotting tools like `gnuplot
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be imported for further processing with Microsoft Excel or `pandas
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<https://pandas.pydata.org/>`_
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Thermo output data from successive run commands in the input script will
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be combined into a single data set unless the format, number, or names
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of output columns are changed with a :doc:`thermo_style <thermo_style>`
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or a :doc:`thermo_modify <thermo_modify>` command, or the current time
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step is reset with :doc:`reset_timestep <reset_timestep>`, or if a
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Thermo output data from successive run commands in the input script is
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combined into a single data set unless the format, number, or names of
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output columns are changed with a :doc:`thermo_style <thermo_style>` or
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a :doc:`thermo_modify <thermo_modify>` command, or the current time step
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is reset with :doc:`reset_timestep <reset_timestep>`, or if a
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:doc:`clear <clear>` command is issued.
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Image Slide Show
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----------------
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By default, if the LAMMPS input contains a :doc:`dump image
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<dump_image>` command, a "Slide Show" window will open which loads and
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displays the images created by LAMMPS as they are written.
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<dump_image>` command, a "Slide Show" window opens which loads and
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displays the images created by LAMMPS as they are written. This is a
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convenient way to visually monitor the progress of the simulation.
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.. image:: JPG/lammps-gui-slideshow.png
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:align: center
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@ -270,11 +271,11 @@ provided the `FFmpeg program <https://ffmpeg.org/>`_ is installed.
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.. versionadded:: 1.6
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When clicking on the "garbage can" icon, all image files used for the
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slide show will be deleted. Since their number can be large for long
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simulations, this allows to safely clean up clutter in the working
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directory.
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When clicking on the "garbage can" icon, all image files of the slide
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show will be deleted. Since their number can be large for long
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simulations, this option enables to safely and quickly clean up the
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clutter caused in the working directory by those image files without
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risk of deleting other files by accident when using wildcards.
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Variable Info
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-------------
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@ -282,8 +283,8 @@ Variable Info
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During a run, it may be of interest to monitor the value of input script
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variables, for example to monitor the progress of loops. This can be
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done by enabling the "Variables Window" in the ``View`` menu or by using
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the `Ctrl-Shift-W` keyboard shortcut. This will show info similar to
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the :doc:`info variables <info>` command in a separate window as shown
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the `Ctrl-Shift-W` keyboard shortcut. This shows info similar to the
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:doc:`info variables <info>` command in a separate window as shown
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below.
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.. image:: JPG/lammps-gui-variable-info.png
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@ -294,10 +295,10 @@ Like for the *Output* and *Charts* windows, its content is continuously
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updated during a run. It will show "(none)" if there are no variables
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defined. Note that it is also possible to *set* :doc:`index style
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variables <variable>`, that would normally be set via command line
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flags, via the "Set Variables..." dialog from the ``Run`` menu. LAMMPS
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GUI will automatically set the variable "gui_run" to the current value
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of the run counter. That way it would be possible to automatically
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record a log for each run attempt by using the command
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flags, via the "Set Variables..." dialog from the ``Run`` menu.
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LAMMPS-GUI automatically defines the variable "gui_run" to the current
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value of the run counter. That way it is possible to automatically
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record a separate log for each run attempt by using the command
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.. code-block:: LAMMPS
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@ -312,31 +313,28 @@ Snapshot Image Viewer
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By selecting the ``Create Image`` entry in the ``Run`` menu, or by
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hitting the `Ctrl-I` (`Command-I` on macOS) keyboard shortcut, or by
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clicking on the "palette" button in the status bar of the *Editor*
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window, LAMMPS-GUI will send a custom :doc:`write_dump image
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<dump_image>` command to LAMMPS and read the resulting snapshot image
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with the current state of the system into an image viewer window. This
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functionality is *not* available *during* an ongoing run since it is
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sending commands to LAMMPS. When LAMMPS is not yet initialized,
|
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LAMMPS-GUI will try to identify the line with the first run or minimize
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command and execute all commands up to that line from the input buffer
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and then add a "run 0" command. This will initialize the system so an
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||||
image of the initial state of the system can be rendered. If there was
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||||
an error, the snapshot image viewer will not appear.
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||||
window, LAMMPS-GUI sends a custom :doc:`write_dump image <dump_image>`
|
||||
command to LAMMPS and reads back the resulting snapshot image with the
|
||||
current state of the system into an image viewer. This functionality is
|
||||
*not* available *during* an ongoing run. In case LAMMPS is not yet
|
||||
initialized, LAMMPS-GUI tries to identify the line with the first run or
|
||||
minimize command and execute all commands from the input buffer up to
|
||||
that line, and then executes a "run 0" command. This initializes the
|
||||
system so an image of the initial state of the system can be rendered.
|
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If there was an error in that process, the snapshot image viewer does
|
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not appear.
|
||||
|
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.. versionadded: 1.6
|
||||
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Assignment of atom diameters from Lennard-Jones *sigma* values
|
||||
|
||||
When possible, LAMMPS-GUI will try to detect which elements the atoms
|
||||
When possible, LAMMPS-GUI tries to detect which elements the atoms
|
||||
correspond to (via their mass) and then colorize them in the image and
|
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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.
|
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Lennard-Jones type potential, it will extract the *sigma* parameter
|
||||
for each atom type and assign atom diameters from those numbers.
|
||||
|
||||
Otherwise the default predefined sequence of colors is assigned to the
|
||||
different atom types and the diameters are all the same.
|
||||
Otherwise the default sequence of colors of the :doc:`dump image
|
||||
<dump_image>` command is assigned to the different atom types and the
|
||||
diameters are all the same.
|
||||
|
||||
.. image:: JPG/lammps-gui-image.png
|
||||
:align: center
|
||||
@ -346,17 +344,27 @@ The default image size, some default image quality settings, the view
|
||||
style and some colors can be changed in the ``Preferences`` dialog
|
||||
window. From the image viewer window further adjustments can be made:
|
||||
actual image size, high-quality (SSAO) rendering, anti-aliasing, view
|
||||
style, display of box or axes, zoom factor. The view of the system
|
||||
can be rotated horizontally and vertically. It is also possible to
|
||||
only display the atoms within a group defined in the input script
|
||||
(default is "all"). After each change, the image is rendered again
|
||||
and the display updated. The small palette icon on the top left will
|
||||
be colored while LAMMPS is running to render the new image; it will be
|
||||
grayed out when it is finished. When there are many atoms to render
|
||||
and high quality images with anti-aliasing are requested, re-rendering
|
||||
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
|
||||
cut-n-paste buffer for pasting into another application.
|
||||
style, display of box or axes, zoom factor. The view of the system can
|
||||
be rotated horizontally and vertically. It is also possible to only
|
||||
display the atoms within a group defined in the input script (default is
|
||||
"all"). After each change, the image is rendered again and the display
|
||||
updated. The small palette icon on the top left is colored while LAMMPS
|
||||
is running to render the new image; it is grayed out when LAMMPS is
|
||||
finished. When there are many atoms to render and high quality images
|
||||
with anti-aliasing are requested, re-rendering may take several seconds.
|
||||
From the ``File`` menu of the image window, the current image can be
|
||||
saved to a file (keyboard shortcut `Ctrl-S`) or copied to the clipboard
|
||||
(keyboard shortcut `Ctrl-C`) for pasting the image into another
|
||||
application.
|
||||
|
||||
.. versionadded:: 1.6
|
||||
|
||||
From the ``File`` menu it is also possible to copy the current
|
||||
:doc:`dump image <dump_image>` and :doc:`dump_modify <dump_image>`
|
||||
commands to the clipboard so they can be pasted into a LAMMPS input file
|
||||
so that the visualization settings of the snapshot image can be repeated
|
||||
for the entire simulation (and thus be repeated in the slide show
|
||||
viewer). This feature has the keyboard shortcut `Ctrl-D`.
|
||||
|
||||
Editor Window
|
||||
-------------
|
||||
@ -372,7 +380,7 @@ save or not save the buffer contents to a file.
|
||||
Context Specific Word Completion
|
||||
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
||||
|
||||
By default, LAMMPS-GUI will display a small pop-up frame with possible
|
||||
By default, LAMMPS-GUI displays a small pop-up frame with possible
|
||||
choices for LAMMPS input script commands or styles after 2 characters of
|
||||
a word have been typed.
|
||||
|
||||
@ -386,10 +394,10 @@ by clicking on the entry with the mouse. The automatic completion
|
||||
pop-up can be disabled in the ``Preferences`` dialog, but the completion
|
||||
can still be requested manually by either hitting the 'Shift-TAB' key or
|
||||
by right-clicking with the mouse and selecting the option from the
|
||||
context menu. Most of the completion information is taken from the
|
||||
LAMMPS instance and thus it will be adjusted to only show available
|
||||
options that have been enabled while compiling LAMMPS. That, however,
|
||||
excludes accelerated styles and commands; for improved clarity, only the
|
||||
context menu. Most of the completion information is retrieved from the
|
||||
active LAMMPS instance and thus it shows only available options that
|
||||
have been enabled when compiling LAMMPS. That list, however, excludes
|
||||
accelerated styles and commands; for improved clarity, only the
|
||||
non-suffix version of styles are shown.
|
||||
|
||||
Line Reformatting
|
||||
@ -401,8 +409,8 @@ whitespace padding to commands, type specifiers, IDs and names. This
|
||||
reformatting is performed by default when hitting the 'Enter' key to
|
||||
start a new line. This feature can be turned on or off in the
|
||||
``Preferences`` dialog, but it can still be manually performed by
|
||||
hitting the 'TAB' key. The amount of padding can also be changed in the
|
||||
``Preferences`` dialog.
|
||||
hitting the 'TAB' key. The amount of padding can be adjusted in the
|
||||
``Preferences`` dialog for the *Editor*.
|
||||
|
||||
Internally this functionality is achieved by splitting the line into
|
||||
"words" and then putting it back together with padding added where the
|
||||
@ -418,10 +426,10 @@ Context Specific Help
|
||||
A unique feature of the LAMMPS-GUI is the option to look up the
|
||||
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
|
||||
shortcut. When clicking the mouse there are additional entries in the
|
||||
context menu that will open the corresponding documentation page in the
|
||||
online LAMMPS documentation. When using the keyboard, the first of
|
||||
those entries will be chosen directly.
|
||||
shortcut. When using the mouse, there are additional entries in the
|
||||
context menu that open the corresponding documentation page in the
|
||||
online LAMMPS documentation in a web browser window. When using the
|
||||
keyboard, the first of those entries is chosen.
|
||||
|
||||
Menu
|
||||
----
|
||||
@ -429,9 +437,9 @@ Menu
|
||||
The menu bar has entries ``File``, ``Edit``, ``Run``, ``View``, and
|
||||
``About``. Instead of using the mouse to click on them, the individual
|
||||
menus can also be activated by hitting the `Alt` key together with the
|
||||
corresponding underlined letter, that is `Alt-F` will activate the
|
||||
corresponding underlined letter, that is `Alt-F` activates the
|
||||
``File`` menu. For the corresponding activated sub-menus, the key
|
||||
corresponding the underlined letters can again be used to select entries
|
||||
corresponding the underlined letters can be used to select entries
|
||||
instead of using the mouse.
|
||||
|
||||
File
|
||||
@ -439,19 +447,21 @@ File
|
||||
|
||||
The ``File`` menu offers the usual options:
|
||||
|
||||
- ``New`` will clear the current buffer and reset the file name to ``*unknown*``
|
||||
- ``Open`` will open a dialog to select a new file
|
||||
- ``Save`` will save the current file; if the file name is ``*unknown*``
|
||||
- ``New`` clears the current buffer and resets the file name to ``*unknown*``
|
||||
- ``Open`` opens a dialog to select a new file for editing
|
||||
- ``Save`` saves the current file; if the file name is ``*unknown*``
|
||||
a dialog will open to select a new file name
|
||||
- ``Save As`` will open a dialog to select and new file name and save
|
||||
the buffer to it
|
||||
- ``Quit`` will exit LAMMPS-GUI. If there are unsaved changes, a dialog
|
||||
will appear to either cancel the operation, or to save or not save the
|
||||
edited file.
|
||||
- ``Save As`` opens a dialog to select and new file name (and folder, if
|
||||
desired) and saves the buffer to it. Writing the buffer to a
|
||||
different folder will also switch the current working directory to
|
||||
that folder.
|
||||
- ``Quit`` exits LAMMPS-GUI. If there are unsaved changes, a dialog will
|
||||
appear to either cancel the operation, or to save, or to not save the
|
||||
modified buffer.
|
||||
|
||||
In addition, up to 5 recent file names will be listed after the
|
||||
``Open`` entry that allows re-opening recent files. This list is
|
||||
stored when quitting and recovered when starting again.
|
||||
In addition, up to 5 recent file names will be listed after the ``Open``
|
||||
entry that allows re-opening recently opened files. This list is stored
|
||||
when quitting and recovered when starting again.
|
||||
|
||||
Edit
|
||||
^^^^
|
||||
@ -459,19 +469,20 @@ Edit
|
||||
The ``Edit`` menu offers the usual editor functions like ``Undo``,
|
||||
``Redo``, ``Cut``, ``Copy``, ``Paste``. It can also open a
|
||||
``Preferences`` dialog (keyboard shortcut `Ctrl-P`) and allows deletion
|
||||
of all stored preferences so they will be reset to default values.
|
||||
of all stored preferences and settings, so they are reset to their
|
||||
default values.
|
||||
|
||||
Run
|
||||
^^^
|
||||
|
||||
The ``Run`` menu has options to start and stop a LAMMPS process.
|
||||
Rather than calling the LAMMPS executable as a separate executable,
|
||||
the LAMMPS-GUI is linked to the LAMMPS library and thus can run LAMMPS
|
||||
internally through the :ref:`LAMMPS C-library interface
|
||||
<lammps_c_api>`.
|
||||
The ``Run`` menu has options to start and stop a LAMMPS process. Rather
|
||||
than calling the LAMMPS executable as a separate executable, the
|
||||
LAMMPS-GUI is linked to the LAMMPS library and thus can run LAMMPS
|
||||
internally through the :ref:`LAMMPS C-library interface <lammps_c_api>`
|
||||
in a separate thread.
|
||||
|
||||
Specifically, a LAMMPS instance will be created by calling
|
||||
:cpp:func:`lammps_open_no_mpi`. The buffer contents then executed by
|
||||
:cpp:func:`lammps_open_no_mpi`. The buffer contents are then executed by
|
||||
calling :cpp:func:`lammps_commands_string`. Certain commands and
|
||||
features are only available after a LAMMPS instance is created. Its
|
||||
presence is indicated by a small LAMMPS ``L`` logo in the status bar
|
||||
@ -481,16 +492,16 @@ reading the file. This is mainly provided as a fallback option in
|
||||
case the input uses some feature that is not available when running
|
||||
from a string buffer.
|
||||
|
||||
The LAMMPS calculation will be run in a concurrent thread so that the
|
||||
GUI can stay responsive and be updated during the run. This can be
|
||||
used to tell the running LAMMPS instance to stop at the next timestep.
|
||||
The ``Stop LAMMPS`` entry will do this by calling
|
||||
:cpp:func:`lammps_force_timeout`, which is equivalent to a :doc:`timer
|
||||
timeout 0 <timer>` command.
|
||||
The LAMMPS calculations are run in a concurrent thread so that the GUI
|
||||
can stay responsive and be updated during the run. The GUI can retrieve
|
||||
data from the running LAMMPS instance and tell it to stop at the next
|
||||
timestep. The ``Stop LAMMPS`` entry will do this by calling the
|
||||
:cpp:func:`lammps_force_timeout` library function, which is equivalent
|
||||
to a :doc:`timer timeout 0 <timer>` command.
|
||||
|
||||
The ``Set Variables...`` entry will open a dialog box where
|
||||
The ``Set Variables...`` entry opens a dialog box where
|
||||
:doc:`index style variables <variable>` can be set. Those variables
|
||||
will be passed to the LAMMPS instance when it is created and are thus
|
||||
are passed to the LAMMPS instance when it is created and are thus
|
||||
set *before* a run is started.
|
||||
|
||||
.. image:: JPG/lammps-gui-variables.png
|
||||
@ -530,14 +541,14 @@ About
|
||||
^^^^^
|
||||
|
||||
The ``About`` menu finally offers a couple of dialog windows and an
|
||||
option to launch the LAMMPS online documentation in a web browser.
|
||||
The ``About LAMMPS`` entry displays a dialog with a summary of the
|
||||
option to launch the LAMMPS online documentation in a web browser. The
|
||||
``About LAMMPS-GUI`` entry displays a dialog with a summary of the
|
||||
configuration settings of the LAMMPS library in use and the version
|
||||
number of LAMMPS-GUI itself. The ``Quick Help`` displays a dialog
|
||||
with a minimal description of LAMMPS-GUI. The ``LAMMPS-GUI Howto``
|
||||
entry will open this documentation page from the online documentation
|
||||
in a web browser window. The ``LAMMPS Manual`` entry will open the
|
||||
main page of the LAMMPS documentation in the web browser.
|
||||
number of LAMMPS-GUI itself. The ``Quick Help`` displays a dialog with
|
||||
a minimal description of LAMMPS-GUI. The ``LAMMPS-GUI Howto`` entry
|
||||
will open this documentation page from the online documentation in a web
|
||||
browser window. The ``LAMMPS Manual`` entry will open the main page of
|
||||
the LAMMPS online documentation in a web browser window.
|
||||
|
||||
-----
|
||||
|
||||
@ -566,7 +577,7 @@ General Settings:
|
||||
^^^^^^^^^^^^^^^^^
|
||||
|
||||
- *Echo input to log:* when checked, all input commands, including
|
||||
variable expansions, will be echoed to the *Output* window. This is
|
||||
variable expansions, are echoed to the *Output* window. This is
|
||||
equivalent to using `-echo screen` at the command line. There is no
|
||||
log *file* produced by default, since LAMMPS-GUI uses `-log none`.
|
||||
- *Include citation details:* when checked full citation info will be
|
||||
|
||||
@ -679,9 +679,9 @@ all rolled into a single application: that is, using a text editor,
|
||||
plotting program, and a visualization program to edit the input, run
|
||||
LAMMPS, process the output into graphs and visualizations from a command
|
||||
line window. This similarity is a design goal. While making it easy for
|
||||
beginners to start with LAMMPS, it is also the expectation that LAMMPS
|
||||
GUI users will eventuall transition to workflows that most experienced
|
||||
LAMMPS users employ.
|
||||
beginners to start with LAMMPS, it is also the expectation that
|
||||
LAMMPS-GUI users will eventually transition to workflows that most
|
||||
experienced LAMMPS users employ.
|
||||
|
||||
All features have been extensively exposed to keyboard shortcuts, so
|
||||
that there is also appeal for experienced LAMMPS users for prototyping
|
||||
|
||||
@ -262,7 +262,7 @@
|
||||
<iconset theme=":/icons/help-about.png"/>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>&About LAMMPS</string>
|
||||
<string>&About LAMMPS-GUI</string>
|
||||
</property>
|
||||
<property name="shortcut">
|
||||
<string>Ctrl+Shift+A</string>
|
||||
|
||||
Reference in New Issue
Block a user