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small updates and corrections to the LAMMPS-GUI howto

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Axel Kohlmeyer
2024-12-27 22:57:51 -05:00
parent 90d1e4d45f
commit 211099b7ca
1 changed files with 22 additions and 9 deletions
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doc/src/Howto_lammps_gui.rst
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@ -100,10 +100,11 @@ MacOS 11 and later
^^^^^^^^^^^^^^^^^^ ^^^^^^^^^^^^^^^^^^
After downloading the ``LAMMPS-macOS-multiarch-GUI-<version>.dmg`` After downloading the ``LAMMPS-macOS-multiarch-GUI-<version>.dmg``
installer package, you need to double-click it and then, in the window application bundle disk image, you need to double-click it and then, in
that opens, drag the app bundle as indicated into the "Applications" the window that opens, drag the app bundle as indicated into the
folder. The follow the instructions in the "README.txt" file to "Applications" folder. Afterwards, the disk image can be unmounted.
get access to the other included executables. Then follow the instructions in the "README.txt" file to get access to
the other included command-line executables.
Linux on x86\_64 Linux on x86\_64
^^^^^^^^^^^^^^^^ ^^^^^^^^^^^^^^^^
@ -117,15 +118,25 @@ into the "LAMMPS_GUI" folder and execute "./lammps-gui" directly.
The second variant uses `flatpak <https://www.flatpak.org>`_ and The second variant uses `flatpak <https://www.flatpak.org>`_ and
requires the flatpak management and runtime software to be installed. requires the flatpak management and runtime software to be installed.
After downloading the ``LAMMPS-GUI-Linux-x86_64-GUI-<version>.tar.gz`` After downloading the ``LAMMPS-GUI-Linux-x86_64-GUI-<version>.flatpak``
flatpak bundle, you can install it with ``flatpak install --user flatpak bundle, you can install it with ``flatpak install --user
LAMMPS-GUI-Linux-x86_64-GUI-<version>.tar.gz``. After installation, LAMMPS-GUI-Linux-x86_64-GUI-<version>.flatpak``. After installation,
LAMMPS-GUI should be integrated into your desktop environment under LAMMPS-GUI should be integrated into your desktop environment under
"Applications > Science" but also can be launched from the console with "Applications > Science" but also can be launched from the console with
``flatpak run org.lammps.lammps-gui``. The flatpak bundle also includes ``flatpak run org.lammps.lammps-gui``. The flatpak bundle also includes
the console LAMMPS executable ``lmp`` which can be launched to run the console LAMMPS executable ``lmp`` which can be launched to run
simulations with, for example: ``flatpak run --command=lmp simulations with, for example with:
org.lammps.lammps-gui -in in.melt``.
.. code-block:: sh
flatpak run --command=lmp org.lammps.lammps-gui -in in.melt
Other bundled command-line executables are run the same way and can be
listed with:
.. code-block:: sh
ls $(flatpak info --show-location org.lammps.lammps-gui )/files/bin
Compiling from Source Compiling from Source
@ -268,7 +279,9 @@ This text would normally be seen in the command-line window.
:scale: 50% :scale: 50%
LAMMPS-GUI captures the screen output from LAMMPS as it is generated and LAMMPS-GUI captures the screen output from LAMMPS as it is generated and
updates the *Output* window regularly during a run. updates the *Output* window regularly during a run. If there are any
warnings or errors in the LAMMPS output, they are highlighted by using
bold text colored in red.
By default, the *Output* window is replaced each time a run is started. By default, the *Output* window is replaced each time a run is started.
The runs are counted and the run number for the current run is displayed The runs are counted and the run number for the current run is displayed