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tools/lammps-gui/README.md
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tools/lammps-gui/README.md
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LAMMPS GUI
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# Overview
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This is essentially a small graphical text editor that is linked to the LAMMPS
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library and thus can run LAMMPS using the contents of the text buffer as input.
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The output of the run is captured and displayed in a separate window dialog.
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# Prerequisites and portability
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The GUI is programmed with the Qt cross-platform GUI toolkit, currently using
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version 5.15LTS. It has been compiled and tested on:
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- Fedora Linux 38 x86\_64
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- Apple macOS 12 (Monterey) x86\_64
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- Windows 10 x86_64 (via MinGW Linux to Windows cross-compiler)
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To compile you need to have LAMMPS compiled (so it can be linked to the LAMMPS
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C-library interface) and Qt 5.15LTS installed.
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# Compilation
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The source is bundled with the LAMMPS source code distribution and thus can be
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built as part of the regular LAMMPS build by setting `-D BUILD_LAMMPS_GUI=on`.
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All other settings are then inherited from the regular LAMMPS build.
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It is also possible to build the GUI as a standalone compilation, then the
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CMake configuration needs to be told where to find the LAMMPS headers and
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the LAMMPS library, via `-D LAMMPS_SOURCE_DIR=/path/to/lammps/src`. CMake
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will try to guess a build folder with the LAMMPS library from that path,
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but it can also be set with `-D LAMMPS_LIB_DIR=/path/to/lammps/lib`.
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It is also possible to compile the GUI without embedding the LAMMPS library
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directly, but to dynamically load it later as a shared library. This has
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the advantage that you can update LAMMPS without having to recompile the GUI.
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This is triggered by setting `-D LAMMPS_GUI_USE_PLUGIN=on` and then
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`-D LAMMPS_PLUGINLIB_DIR=/path/to/lammps/plugin/loader`. Typically, this
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would be the `examples/COUPLE/plugin` folder of the LAMMPS distribution.
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