diff --git a/doc/src/Howto_lammps_gui.rst b/doc/src/Howto_lammps_gui.rst index adf0c836fb..53d890ea7e 100644 --- a/doc/src/Howto_lammps_gui.rst +++ b/doc/src/Howto_lammps_gui.rst @@ -481,22 +481,31 @@ types. |gui-image1| |gui-image2| 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"). The image can also be re-centered on the center of mass of the -selected group. 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. +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 display only the atoms within a :doc:`group +defined in the input script ` (default is "all"). The available +groups can be selected from the drop down list next to the "Group:" +label. Similarly, if there are :doc:`molecules defined in the input +`, it is possible to select one of them (default is "none") +and visualize it (it will be shown at the center of the simulation box). +While a molecule is selected, the group selection is disabled. It can +be restored by selecting the molecule "none". + +The image can also be re-centered on the center of mass of the selected +group. 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. From the *File* menu it is also possible to copy the current :doc:`dump image ` and :doc:`dump_modify ` diff --git a/doc/src/Python_launch.rst b/doc/src/Python_launch.rst index f9bd9c1c98..046edccfbc 100644 --- a/doc/src/Python_launch.rst +++ b/doc/src/Python_launch.rst @@ -1,7 +1,7 @@ Running LAMMPS and Python in serial ----------------------------------- -To run a LAMMPS in serial, type these lines into Python +To run a LAMMPS input in serial, type these lines into Python interactively from the ``bench`` directory: .. code-block:: python diff --git a/tools/lammps-gui/lammps-gui.appdata.xml b/tools/lammps-gui/lammps-gui.appdata.xml index 1b34b0c7bd..898966dccc 100644 --- a/tools/lammps-gui/lammps-gui.appdata.xml +++ b/tools/lammps-gui/lammps-gui.appdata.xml @@ -59,6 +59,7 @@ Change working directory to user's home dir if initial directory is "/" or the Application folder Add preferences option to set https proxy, if not already set via environment variable + Add option to visualize molecules defined through the molecule command