add explanation about integrating new styles into packages
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@ -50,6 +50,30 @@ We are looking at the following cases:
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- `Case 3: a potential requiring communication`_
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- `Case 4: potentials without a compute() function`_
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Package and build system considerations
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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In general, new pair styles should be added to the :ref:`EXTRA-PAIR
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package <PKG-EXTRA-PAIR>` unless they are an accelerated pair style and
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then they should be added to the corresponding accelerator package
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(:ref:`GPU <PKG-GPU>`, :ref:`INTEL <PKG-INTEL>`, :ref:`KOKKOS
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<PKG-KOKKOS>`, :ref:`OPENMP <PKG-OPENMP>`, :ref:`OPT <PKG-OPT>`). If
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you feel that your contribution should be added to a different package,
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please consult with the LAMMPS developers first.
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The contributed code needs to support the :doc:`traditional GNU make
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build process <Build_make>` **and** the :doc:`CMake build process
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<Build_cmake>`. For the GNU make process and if the package has an
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``Install.sh`` file, most likely that file needs to be updated to
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correctly copy the sources when installing the package and properly
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delete them when uninstalling. This is particularly important when
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added a new pair style that is a derived class from an existing pair
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style in a package, so that its installation depends on the the
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installation status of the package of the derived class. For the CMake
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process, it is sometimes necessary to make changes to the package
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specific CMake scripting in ``cmake/Modules/Packages``.
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----
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Case 1: a pairwise additive model
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