diff --git a/doc/CMakeCache.txt b/doc/CMakeCache.txt
new file mode 100644
index 0000000000..4a77cf906e
--- /dev/null
+++ b/doc/CMakeCache.txt
@@ -0,0 +1,1207 @@
+# This is the CMakeCache file.
+# For build in directory: /Users/ngoccuongnguyen/lammps/doc
+# It was generated by CMake: /usr/local/Cellar/cmake/3.18.2/bin/cmake
+# You can edit this file to change values found and used by cmake.
+# If you do not want to change any of the values, simply exit the editor.
+# If you do want to change a value, simply edit, save, and exit the editor.
+# The syntax for the file is as follows:
+# KEY:TYPE=VALUE
+# KEY is the name of a variable in the cache.
+# TYPE is a hint to GUIs for the type of VALUE, DO NOT EDIT TYPE!.
+# VALUE is the current value for the KEY.
+
+########################
+# EXTERNAL cache entries
+########################
+
+//Path to a library.
+BLAS_Accelerate_LIBRARY:FILEPATH=/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX11.1.sdk/System/Library/Frameworks/Accelerate.framework
+
+//Path to a library.
+BLAS_acml_LIBRARY:FILEPATH=BLAS_acml_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_acml_mp_LIBRARY:FILEPATH=BLAS_acml_mp_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_armpl_lp64_LIBRARY:FILEPATH=BLAS_armpl_lp64_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_blas_LIBRARY:FILEPATH=/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX11.1.sdk/usr/lib/libblas.tbd
+
+//Path to a library.
+BLAS_blis_LIBRARY:FILEPATH=BLAS_blis_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_complib.sgimath_LIBRARY:FILEPATH=BLAS_complib.sgimath_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_cxml_LIBRARY:FILEPATH=BLAS_cxml_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_dxml_LIBRARY:FILEPATH=BLAS_dxml_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_essl_LIBRARY:FILEPATH=BLAS_essl_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_f77blas_LIBRARY:FILEPATH=BLAS_f77blas_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_goto2_LIBRARY:FILEPATH=BLAS_goto2_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_mkl_LIBRARY:FILEPATH=BLAS_mkl_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_mkl_em64t_LIBRARY:FILEPATH=BLAS_mkl_em64t_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_mkl_ia32_LIBRARY:FILEPATH=BLAS_mkl_ia32_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_mkl_intel_LIBRARY:FILEPATH=BLAS_mkl_intel_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_mkl_intel_lp64_LIBRARY:FILEPATH=BLAS_mkl_intel_lp64_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_mkl_rt_LIBRARY:FILEPATH=BLAS_mkl_rt_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_openblas_LIBRARY:FILEPATH=BLAS_openblas_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_scsl_LIBRARY:FILEPATH=BLAS_scsl_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_sgemm_LIBRARY:FILEPATH=BLAS_sgemm_LIBRARY-NOTFOUND
+
+//Path to a library.
+BLAS_sunperf_LIBRARY:FILEPATH=BLAS_sunperf_LIBRARY-NOTFOUND
+
+//Build LAMMPS HTML documentation
+BUILD_DOC:BOOL=OFF
+
+//Build and install the LAMMPS shell
+BUILD_LAMMPS_SHELL:BOOL=OFF
+
+//Build MPI version
+BUILD_MPI:BOOL=ON
+
+//Build with OpenMP support
+BUILD_OMP:BOOL=OFF
+
+//Build shared library
+BUILD_SHARED_LIBS:BOOL=on
+
+//Build and install LAMMPS tools (msi2lmp, binary2txt, chain)
+BUILD_TOOLS:BOOL=OFF
+
+//Path to a program.
+CMAKE_ADDR2LINE:FILEPATH=CMAKE_ADDR2LINE-NOTFOUND
+
+//Path to a program.
+CMAKE_AR:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/ar
+
+//Choose the type of build, options are: None Debug Release RelWithDebInfo
+// MinSizeRel.
+CMAKE_BUILD_TYPE:STRING=RelWithDebInfo
+
+//Enable/Disable color output during build.
+CMAKE_COLOR_MAKEFILE:BOOL=ON
+
+//CXX compiler
+CMAKE_CXX_COMPILER:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++
+
+//Use compiler extensions
+CMAKE_CXX_EXTENSIONS:BOOL=OFF
+
+//Flags used by the CXX compiler during all build types.
+CMAKE_CXX_FLAGS:STRING=
+
+//Flags used by the CXX compiler during DEBUG builds.
+CMAKE_CXX_FLAGS_DEBUG:STRING=-g
+
+//Flags used by the CXX compiler during MINSIZEREL builds.
+CMAKE_CXX_FLAGS_MINSIZEREL:STRING=-Os -DNDEBUG
+
+//Flags used by the CXX compiler during RELEASE builds.
+CMAKE_CXX_FLAGS_RELEASE:STRING=-O3 -DNDEBUG
+
+//Flags used by the CXX compiler during RELWITHDEBINFO builds.
+CMAKE_CXX_FLAGS_RELWITHDEBINFO:STRING=-O2 -g -DNDEBUG
+
+//C compiler
+CMAKE_C_COMPILER:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/cc
+
+//Flags used by the C compiler during all build types.
+CMAKE_C_FLAGS:STRING=
+
+//Flags used by the C compiler during DEBUG builds.
+CMAKE_C_FLAGS_DEBUG:STRING=-g
+
+//Flags used by the C compiler during MINSIZEREL builds.
+CMAKE_C_FLAGS_MINSIZEREL:STRING=-Os -DNDEBUG
+
+//Flags used by the C compiler during RELEASE builds.
+CMAKE_C_FLAGS_RELEASE:STRING=-O3 -DNDEBUG
+
+//Flags used by the C compiler during RELWITHDEBINFO builds.
+CMAKE_C_FLAGS_RELWITHDEBINFO:STRING=-O2 -g -DNDEBUG
+
+//Path to a program.
+CMAKE_DLLTOOL:FILEPATH=CMAKE_DLLTOOL-NOTFOUND
+
+//Executable file format
+CMAKE_EXECUTABLE_FORMAT:STRING=MACHO
+
+//Flags used by the linker during all build types.
+CMAKE_EXE_LINKER_FLAGS:STRING=
+
+//Flags used by the linker during DEBUG builds.
+CMAKE_EXE_LINKER_FLAGS_DEBUG:STRING=
+
+//Flags used by the linker during MINSIZEREL builds.
+CMAKE_EXE_LINKER_FLAGS_MINSIZEREL:STRING=
+
+//Flags used by the linker during RELEASE builds.
+CMAKE_EXE_LINKER_FLAGS_RELEASE:STRING=
+
+//Flags used by the linker during RELWITHDEBINFO builds.
+CMAKE_EXE_LINKER_FLAGS_RELWITHDEBINFO:STRING=
+
+//Enable/Disable output of compile commands during generation.
+CMAKE_EXPORT_COMPILE_COMMANDS:BOOL=
+
+//User executables (bin)
+CMAKE_INSTALL_BINDIR:PATH=bin
+
+//Read-only architecture-independent data (DATAROOTDIR)
+CMAKE_INSTALL_DATADIR:PATH=
+
+//Read-only architecture-independent data root (share)
+CMAKE_INSTALL_DATAROOTDIR:PATH=share
+
+//Documentation root (DATAROOTDIR/doc/PROJECT_NAME)
+CMAKE_INSTALL_DOCDIR:PATH=
+
+//C header files (include)
+CMAKE_INSTALL_INCLUDEDIR:PATH=include
+
+//Info documentation (DATAROOTDIR/info)
+CMAKE_INSTALL_INFODIR:PATH=
+
+//Object code libraries (lib)
+CMAKE_INSTALL_LIBDIR:PATH=lib
+
+//Program executables (libexec)
+CMAKE_INSTALL_LIBEXECDIR:PATH=libexec
+
+//Locale-dependent data (DATAROOTDIR/locale)
+CMAKE_INSTALL_LOCALEDIR:PATH=
+
+//Modifiable single-machine data (var)
+CMAKE_INSTALL_LOCALSTATEDIR:PATH=var
+
+//Man documentation (DATAROOTDIR/man)
+CMAKE_INSTALL_MANDIR:PATH=
+
+//Path to a program.
+CMAKE_INSTALL_NAME_TOOL:FILEPATH=/opt/local/bin/install_name_tool
+
+//C header files for non-gcc (/usr/include)
+CMAKE_INSTALL_OLDINCLUDEDIR:PATH=/usr/include
+
+//Default install path
+CMAKE_INSTALL_PREFIX:PATH=/Users/ngoccuongnguyen/.local
+
+//Run-time variable data (LOCALSTATEDIR/run)
+CMAKE_INSTALL_RUNSTATEDIR:PATH=
+
+//System admin executables (sbin)
+CMAKE_INSTALL_SBINDIR:PATH=sbin
+
+//Modifiable architecture-independent data (com)
+CMAKE_INSTALL_SHAREDSTATEDIR:PATH=com
+
+//Read-only single-machine data (etc)
+CMAKE_INSTALL_SYSCONFDIR:PATH=etc
+
+//Path to a program.
+CMAKE_LINKER:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/ld
+
+//Path to a program.
+CMAKE_MAKE_PROGRAM:FILEPATH=/usr/bin/make
+
+//Flags used by the linker during the creation of modules during
+// all build types.
+CMAKE_MODULE_LINKER_FLAGS:STRING=
+
+//Flags used by the linker during the creation of modules during
+// DEBUG builds.
+CMAKE_MODULE_LINKER_FLAGS_DEBUG:STRING=
+
+//Flags used by the linker during the creation of modules during
+// MINSIZEREL builds.
+CMAKE_MODULE_LINKER_FLAGS_MINSIZEREL:STRING=
+
+//Flags used by the linker during the creation of modules during
+// RELEASE builds.
+CMAKE_MODULE_LINKER_FLAGS_RELEASE:STRING=
+
+//Flags used by the linker during the creation of modules during
+// RELWITHDEBINFO builds.
+CMAKE_MODULE_LINKER_FLAGS_RELWITHDEBINFO:STRING=
+
+//Path to a program.
+CMAKE_NM:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/nm
+
+//Path to a program.
+CMAKE_OBJCOPY:FILEPATH=CMAKE_OBJCOPY-NOTFOUND
+
+//Path to a program.
+CMAKE_OBJDUMP:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/objdump
+
+//Build architectures for OSX
+CMAKE_OSX_ARCHITECTURES:STRING=
+
+//Minimum OS X version to target for deployment (at runtime); newer
+// APIs weak linked. Set to empty string for default value.
+CMAKE_OSX_DEPLOYMENT_TARGET:STRING=10.15
+
+//The product will be built against the headers and libraries located
+// inside the indicated SDK.
+CMAKE_OSX_SYSROOT:PATH=/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX11.1.sdk
+
+//Create object compatible with shared libraries
+CMAKE_POSITION_INDEPENDENT_CODE:BOOL=ON
+
+//Value Computed by CMake
+CMAKE_PROJECT_DESCRIPTION:STATIC=
+
+//Value Computed by CMake
+CMAKE_PROJECT_HOMEPAGE_URL:STATIC=
+
+//Value Computed by CMake
+CMAKE_PROJECT_NAME:STATIC=lammps
+
+//Path to a program.
+CMAKE_RANLIB:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/ranlib
+
+//Path to a program.
+CMAKE_READELF:FILEPATH=CMAKE_READELF-NOTFOUND
+
+//Flags used by the linker during the creation of shared libraries
+// during all build types.
+CMAKE_SHARED_LINKER_FLAGS:STRING=
+
+//Flags used by the linker during the creation of shared libraries
+// during DEBUG builds.
+CMAKE_SHARED_LINKER_FLAGS_DEBUG:STRING=
+
+//Flags used by the linker during the creation of shared libraries
+// during MINSIZEREL builds.
+CMAKE_SHARED_LINKER_FLAGS_MINSIZEREL:STRING=
+
+//Flags used by the linker during the creation of shared libraries
+// during RELEASE builds.
+CMAKE_SHARED_LINKER_FLAGS_RELEASE:STRING=
+
+//Flags used by the linker during the creation of shared libraries
+// during RELWITHDEBINFO builds.
+CMAKE_SHARED_LINKER_FLAGS_RELWITHDEBINFO:STRING=
+
+//If set, runtime paths are not added when installing shared libraries,
+// but are added when building.
+CMAKE_SKIP_INSTALL_RPATH:BOOL=NO
+
+//If set, runtime paths are not added when using shared libraries.
+CMAKE_SKIP_RPATH:BOOL=NO
+
+//Flags used by the linker during the creation of static libraries
+// during all build types.
+CMAKE_STATIC_LINKER_FLAGS:STRING=
+
+//Flags used by the linker during the creation of static libraries
+// during DEBUG builds.
+CMAKE_STATIC_LINKER_FLAGS_DEBUG:STRING=
+
+//Flags used by the linker during the creation of static libraries
+// during MINSIZEREL builds.
+CMAKE_STATIC_LINKER_FLAGS_MINSIZEREL:STRING=
+
+//Flags used by the linker during the creation of static libraries
+// during RELEASE builds.
+CMAKE_STATIC_LINKER_FLAGS_RELEASE:STRING=
+
+//Flags used by the linker during the creation of static libraries
+// during RELWITHDEBINFO builds.
+CMAKE_STATIC_LINKER_FLAGS_RELWITHDEBINFO:STRING=
+
+//Path to a program.
+CMAKE_STRIP:FILEPATH=/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/strip
+
+//Compiler and machine specific optimization flags (compilation
+// only)
+CMAKE_TUNE_FLAGS:STRING=
+
+//Generate verbose Makefiles
+CMAKE_VERBOSE_MAKEFILE:BOOL=FALSE
+
+//clang-format executable
+ClangFormat_EXECUTABLE:FILEPATH=ClangFormat_EXECUTABLE-NOTFOUND
+
+//Include clang-tidy processing when compiling
+ENABLE_CLANG_TIDY:BOOL=OFF
+
+//Add 'iwyu' build target to call the include-what-you-use tool
+ENABLE_IWYU:BOOL=OFF
+
+//Select a code sanitizer option (none (default), address, leak,
+// thread, undefined)
+ENABLE_SANITIZER:STRING=none
+
+//Enable testing
+ENABLE_TESTING:BOOL=OFF
+
+//Path to a program.
+FFMPEG_EXECUTABLE:FILEPATH=FFMPEG_EXECUTABLE-NOTFOUND
+
+//FFT library for KSPACE package
+FFT:STRING=FFTW3
+
+//Path to a file.
+FFTW3_INCLUDE_DIR:PATH=/usr/local/include
+
+//Path to a library.
+FFTW3_LIBRARY:FILEPATH=/usr/local/lib/libfftw3.dylib
+
+//Path to a library.
+FFTW3_OMP_LIBRARY:FILEPATH=/usr/local/lib/libfftw3_omp.dylib
+
+//Use threaded FFTW library
+FFT_FFTW_THREADS:BOOL=ON
+
+//Optimization for FFT
+FFT_PACK:STRING=array
+
+//Use single precision FFTs instead of double precision FFTs
+FFT_SINGLE:BOOL=OFF
+
+//Git command line client
+GIT_EXECUTABLE:FILEPATH=/usr/bin/git
+
+//Path to a program.
+GZIP_EXECUTABLE:FILEPATH=/usr/bin/gzip
+
+//Path to a file.
+JPEG_INCLUDE_DIR:PATH=/usr/local/include
+
+//Path to a library.
+JPEG_LIBRARY_DEBUG:FILEPATH=JPEG_LIBRARY_DEBUG-NOTFOUND
+
+//Path to a library.
+JPEG_LIBRARY_RELEASE:FILEPATH=/usr/local/lib/libjpeg.dylib
+
+//Base URL for LAMMPS downloads
+LAMMPS_DOWNLOADS_URL:STRING=https://download.lammps.org
+
+//enable the use of C++ exceptions for error messages (useful for
+// library interface)
+LAMMPS_EXCEPTIONS:BOOL=on
+
+//Set runtime path for shared libraries linked to LAMMPS binaries
+LAMMPS_INSTALL_RPATH:BOOL=OFF
+
+//Workaround if your system or MPI version does not recognize 'long
+// long' data types
+LAMMPS_LONGLONG_TO_LONG:BOOL=OFF
+
+//Suffix to append to lmp binary (WON'T enable any features automatically
+LAMMPS_MACHINE:STRING=
+
+//enables the use of the posix_memalign() call instead of malloc()
+// when large chunks or memory are allocated by LAMMPS. Set to
+// 0 to disable
+LAMMPS_MEMALIGN:STRING=64
+
+//LAMMPS integer sizes (smallsmall: all 32-bit, smallbig: 64-bit
+// #atoms #timesteps, bigbig: also 64-bit imageint, 64-bit atom
+// ids)
+LAMMPS_SIZES:STRING=smallbig
+
+//Executable for running MPI programs.
+MPIEXEC_EXECUTABLE:FILEPATH=/usr/local/bin/mpiexec
+
+//Maximum number of processors available to run MPI applications.
+MPIEXEC_MAX_NUMPROCS:STRING=4
+
+//Flag used by MPI to specify the number of processes for mpiexec;
+// the next option will be the number of processes.
+MPIEXEC_NUMPROC_FLAG:STRING=-n
+
+//These flags will be placed after all flags passed to mpiexec.
+MPIEXEC_POSTFLAGS:STRING=
+
+//These flags will be directly before the executable that is being
+// run by mpiexec.
+MPIEXEC_PREFLAGS:STRING=
+
+//MPI CXX additional include directories
+MPI_CXX_ADDITIONAL_INCLUDE_DIRS:STRING=
+
+//MPI compiler for CXX
+MPI_CXX_COMPILER:FILEPATH=/usr/local/bin/mpicxx
+
+//MPI CXX compiler wrapper include directories
+MPI_CXX_COMPILER_INCLUDE_DIRS:STRING=/usr/local/Cellar/open-mpi/4.1.1_2/include
+
+//MPI CXX compilation definitions
+MPI_CXX_COMPILE_DEFINITIONS:STRING=MPICH_SKIP_MPICXX;OMPI_SKIP_MPICXX;_MPICC_H
+
+//MPI CXX compilation options
+MPI_CXX_COMPILE_OPTIONS:STRING=
+
+//Path to a file.
+MPI_CXX_HEADER_DIR:PATH=/usr/local/Cellar/open-mpi/4.1.1_2/include
+
+//MPI CXX libraries to link against
+MPI_CXX_LIB_NAMES:STRING=mpi
+
+//MPI CXX linker flags
+MPI_CXX_LINK_FLAGS:STRING=-L/usr/local/Cellar/libevent/2.1.12/lib
+
+//If true, the MPI-2 C++ bindings are disabled using definitions.
+MPI_CXX_SKIP_MPICXX:BOOL=FALSE
+
+//Location of the mpi library for MPI
+MPI_mpi_LIBRARY:FILEPATH=/usr/local/Cellar/open-mpi/4.1.1_2/lib/libmpi.dylib
+
+//CXX compiler flags for OpenMP parallelization
+OpenMP_CXX_FLAGS:STRING=-Xclang -fopenmp
+
+//Path to a file.
+OpenMP_CXX_INCLUDE_DIR:PATH=/usr/local/include
+
+//CXX compiler libraries for OpenMP parallelization
+OpenMP_CXX_LIB_NAMES:STRING=libomp
+
+//Path to a library.
+OpenMP_libomp_LIBRARY:FILEPATH=/usr/local/lib/libomp.dylib
+
+//Build ADIOS Package
+PKG_ADIOS:BOOL=OFF
+
+//Build ASPHERE Package
+PKG_ASPHERE:BOOL=OFF
+
+//Build ATC Package
+PKG_ATC:BOOL=OFF
+
+//Build AWPMD Package
+PKG_AWPMD:BOOL=OFF
+
+//Build BOCS Package
+PKG_BOCS:BOOL=OFF
+
+//Build BODY Package
+PKG_BODY:BOOL=OFF
+
+//Build BPM Package
+PKG_BPM:BOOL=OFF
+
+//Build BROWNIAN Package
+PKG_BROWNIAN:BOOL=OFF
+
+//Build CG-DNA Package
+PKG_CG-DNA:BOOL=OFF
+
+//Build CG-SDK Package
+PKG_CG-SDK:BOOL=OFF
+
+//Build CLASS2 Package
+PKG_CLASS2:BOOL=OFF
+
+//Build COLLOID Package
+PKG_COLLOID:BOOL=OFF
+
+//Build COLVARS Package
+PKG_COLVARS:BOOL=OFF
+
+//Build COMPRESS Package
+PKG_COMPRESS:BOOL=OFF
+
+//pkg-config executable
+PKG_CONFIG_EXECUTABLE:FILEPATH=/opt/local/bin/pkg-config
+
+//Build CORESHELL Package
+PKG_CORESHELL:BOOL=OFF
+
+//Build DIELECTRIC Package
+PKG_DIELECTRIC:BOOL=OFF
+
+//Build DIFFRACTION Package
+PKG_DIFFRACTION:BOOL=OFF
+
+//Build DIPOLE Package
+PKG_DIPOLE:BOOL=OFF
+
+//Build DPD-BASIC Package
+PKG_DPD-BASIC:BOOL=OFF
+
+//Build DPD-MESO Package
+PKG_DPD-MESO:BOOL=OFF
+
+//Build DPD-REACT Package
+PKG_DPD-REACT:BOOL=OFF
+
+//Build DPD-SMOOTH Package
+PKG_DPD-SMOOTH:BOOL=OFF
+
+//Build DRUDE Package
+PKG_DRUDE:BOOL=OFF
+
+//Build EFF Package
+PKG_EFF:BOOL=OFF
+
+//Build ELECTRODE Package
+PKG_ELECTRODE:BOOL=OFF
+
+//Build EXTRA-COMPUTE Package
+PKG_EXTRA-COMPUTE:BOOL=OFF
+
+//Build EXTRA-DUMP Package
+PKG_EXTRA-DUMP:BOOL=OFF
+
+//Build EXTRA-FIX Package
+PKG_EXTRA-FIX:BOOL=OFF
+
+//Build EXTRA-MOLECULE Package
+PKG_EXTRA-MOLECULE:BOOL=OFF
+
+//Build EXTRA-PAIR Package
+PKG_EXTRA-PAIR:BOOL=OFF
+
+//Build FEP Package
+PKG_FEP:BOOL=OFF
+
+//Build GPU Package
+PKG_GPU:BOOL=OFF
+
+//Build GRANULAR Package
+PKG_GRANULAR:BOOL=OFF
+
+//Build H5MD Package
+PKG_H5MD:BOOL=OFF
+
+//Build INTEL Package
+PKG_INTEL:BOOL=OFF
+
+//Build INTERLAYER Package
+PKG_INTERLAYER:BOOL=OFF
+
+//Build KIM Package
+PKG_KIM:BOOL=OFF
+
+//Build KOKKOS Package
+PKG_KOKKOS:BOOL=OFF
+
+//Build KSPACE Package
+PKG_KSPACE:BOOL=ON
+
+//Build LATBOLTZ Package
+PKG_LATBOLTZ:BOOL=OFF
+
+//Build LATTE Package
+PKG_LATTE:BOOL=OFF
+
+//Build MACHDYN Package
+PKG_MACHDYN:BOOL=OFF
+
+//Build MANIFOLD Package
+PKG_MANIFOLD:BOOL=OFF
+
+//Build MANYBODY Package
+PKG_MANYBODY:BOOL=ON
+
+//Build MC Package
+PKG_MC:BOOL=OFF
+
+//Build MDI Package
+PKG_MDI:BOOL=OFF
+
+//Build MEAM Package
+PKG_MEAM:BOOL=OFF
+
+//Build MESONT Package
+PKG_MESONT:BOOL=OFF
+
+//Build MGPT Package
+PKG_MGPT:BOOL=OFF
+
+//Build MISC Package
+PKG_MISC:BOOL=OFF
+
+//Build ML-HDNNP Package
+PKG_ML-HDNNP:BOOL=OFF
+
+//Build ML-IAP Package
+PKG_ML-IAP:BOOL=OFF
+
+//Build ML-PACE Package
+PKG_ML-PACE:BOOL=off
+
+//Build ML-POD Package
+PKG_ML-POD:BOOL=on
+
+//Build ML-QUIP Package
+PKG_ML-QUIP:BOOL=OFF
+
+//Build ML-RANN Package
+PKG_ML-RANN:BOOL=OFF
+
+//Build ML-SNAP Package
+PKG_ML-SNAP:BOOL=on
+
+//Build MOFFF Package
+PKG_MOFFF:BOOL=OFF
+
+//Build MOLECULE Package
+PKG_MOLECULE:BOOL=ON
+
+//Build MOLFILE Package
+PKG_MOLFILE:BOOL=OFF
+
+//Build MPIIO Package
+PKG_MPIIO:BOOL=OFF
+
+//Build MSCG Package
+PKG_MSCG:BOOL=OFF
+
+//Build NETCDF Package
+PKG_NETCDF:BOOL=OFF
+
+//Build OPENMP Package
+PKG_OPENMP:BOOL=OFF
+
+//Build OPT Package
+PKG_OPT:BOOL=OFF
+
+//Build ORIENT Package
+PKG_ORIENT:BOOL=OFF
+
+//Build PERI Package
+PKG_PERI:BOOL=OFF
+
+//Build PHONON Package
+PKG_PHONON:BOOL=OFF
+
+//Build PLUGIN Package
+PKG_PLUGIN:BOOL=OFF
+
+//Build PLUMED Package
+PKG_PLUMED:BOOL=OFF
+
+//Build POEMS Package
+PKG_POEMS:BOOL=OFF
+
+//Build PTM Package
+PKG_PTM:BOOL=OFF
+
+//Build PYTHON Package
+PKG_PYTHON:BOOL=on
+
+//Build QEQ Package
+PKG_QEQ:BOOL=OFF
+
+//Build QMMM Package
+PKG_QMMM:BOOL=OFF
+
+//Build QTB Package
+PKG_QTB:BOOL=OFF
+
+//Build REACTION Package
+PKG_REACTION:BOOL=OFF
+
+//Build REAXFF Package
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+# define COMPILER_ID "Compaq"
+  /* __DECC_VER = VVRRTPPPP */
+# define COMPILER_VERSION_MAJOR DEC(__DECC_VER/10000000)
+# define COMPILER_VERSION_MINOR DEC(__DECC_VER/100000  % 100)
+# define COMPILER_VERSION_PATCH DEC(__DECC_VER         % 10000)
+
+#elif defined(__IBMC__) && defined(__COMPILER_VER__)
+# define COMPILER_ID "zOS"
+  /* __IBMC__ = VRP */
+# define COMPILER_VERSION_MAJOR DEC(__IBMC__/100)
+# define COMPILER_VERSION_MINOR DEC(__IBMC__/10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__IBMC__    % 10)
+
+#elif defined(__ibmxl__) && defined(__clang__)
+# define COMPILER_ID "XLClang"
+# define COMPILER_VERSION_MAJOR DEC(__ibmxl_version__)
+# define COMPILER_VERSION_MINOR DEC(__ibmxl_release__)
+# define COMPILER_VERSION_PATCH DEC(__ibmxl_modification__)
+# define COMPILER_VERSION_TWEAK DEC(__ibmxl_ptf_fix_level__)
+
+
+#elif defined(__IBMC__) && !defined(__COMPILER_VER__) && __IBMC__ >= 800
+# define COMPILER_ID "XL"
+  /* __IBMC__ = VRP */
+# define COMPILER_VERSION_MAJOR DEC(__IBMC__/100)
+# define COMPILER_VERSION_MINOR DEC(__IBMC__/10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__IBMC__    % 10)
+
+#elif defined(__IBMC__) && !defined(__COMPILER_VER__) && __IBMC__ < 800
+# define COMPILER_ID "VisualAge"
+  /* __IBMC__ = VRP */
+# define COMPILER_VERSION_MAJOR DEC(__IBMC__/100)
+# define COMPILER_VERSION_MINOR DEC(__IBMC__/10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__IBMC__    % 10)
+
+#elif defined(__PGI)
+# define COMPILER_ID "PGI"
+# define COMPILER_VERSION_MAJOR DEC(__PGIC__)
+# define COMPILER_VERSION_MINOR DEC(__PGIC_MINOR__)
+# if defined(__PGIC_PATCHLEVEL__)
+#  define COMPILER_VERSION_PATCH DEC(__PGIC_PATCHLEVEL__)
+# endif
+
+#elif defined(_CRAYC)
+# define COMPILER_ID "Cray"
+# define COMPILER_VERSION_MAJOR DEC(_RELEASE_MAJOR)
+# define COMPILER_VERSION_MINOR DEC(_RELEASE_MINOR)
+
+#elif defined(__TI_COMPILER_VERSION__)
+# define COMPILER_ID "TI"
+  /* __TI_COMPILER_VERSION__ = VVVRRRPPP */
+# define COMPILER_VERSION_MAJOR DEC(__TI_COMPILER_VERSION__/1000000)
+# define COMPILER_VERSION_MINOR DEC(__TI_COMPILER_VERSION__/1000   % 1000)
+# define COMPILER_VERSION_PATCH DEC(__TI_COMPILER_VERSION__        % 1000)
+
+#elif defined(__FUJITSU) || defined(__FCC_VERSION) || defined(__fcc_version)
+# define COMPILER_ID "Fujitsu"
+
+#elif defined(__ghs__)
+# define COMPILER_ID "GHS"
+/* __GHS_VERSION_NUMBER = VVVVRP */
+# ifdef __GHS_VERSION_NUMBER
+# define COMPILER_VERSION_MAJOR DEC(__GHS_VERSION_NUMBER / 100)
+# define COMPILER_VERSION_MINOR DEC(__GHS_VERSION_NUMBER / 10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__GHS_VERSION_NUMBER      % 10)
+# endif
+
+#elif defined(__TINYC__)
+# define COMPILER_ID "TinyCC"
+
+#elif defined(__BCC__)
+# define COMPILER_ID "Bruce"
+
+#elif defined(__SCO_VERSION__)
+# define COMPILER_ID "SCO"
+
+#elif defined(__ARMCC_VERSION) && !defined(__clang__)
+# define COMPILER_ID "ARMCC"
+#if __ARMCC_VERSION >= 1000000
+  /* __ARMCC_VERSION = VRRPPPP */
+  # define COMPILER_VERSION_MAJOR DEC(__ARMCC_VERSION/1000000)
+  # define COMPILER_VERSION_MINOR DEC(__ARMCC_VERSION/10000 % 100)
+  # define COMPILER_VERSION_PATCH DEC(__ARMCC_VERSION     % 10000)
+#else
+  /* __ARMCC_VERSION = VRPPPP */
+  # define COMPILER_VERSION_MAJOR DEC(__ARMCC_VERSION/100000)
+  # define COMPILER_VERSION_MINOR DEC(__ARMCC_VERSION/10000 % 10)
+  # define COMPILER_VERSION_PATCH DEC(__ARMCC_VERSION    % 10000)
+#endif
+
+
+#elif defined(__clang__) && defined(__apple_build_version__)
+# define COMPILER_ID "AppleClang"
+# if defined(_MSC_VER)
+#  define SIMULATE_ID "MSVC"
+# endif
+# define COMPILER_VERSION_MAJOR DEC(__clang_major__)
+# define COMPILER_VERSION_MINOR DEC(__clang_minor__)
+# define COMPILER_VERSION_PATCH DEC(__clang_patchlevel__)
+# if defined(_MSC_VER)
+   /* _MSC_VER = VVRR */
+#  define SIMULATE_VERSION_MAJOR DEC(_MSC_VER / 100)
+#  define SIMULATE_VERSION_MINOR DEC(_MSC_VER % 100)
+# endif
+# define COMPILER_VERSION_TWEAK DEC(__apple_build_version__)
+
+#elif defined(__clang__) && defined(__ARMCOMPILER_VERSION)
+# define COMPILER_ID "ARMClang"
+  # define COMPILER_VERSION_MAJOR DEC(__ARMCOMPILER_VERSION/1000000)
+  # define COMPILER_VERSION_MINOR DEC(__ARMCOMPILER_VERSION/10000 % 100)
+  # define COMPILER_VERSION_PATCH DEC(__ARMCOMPILER_VERSION     % 10000)
+# define COMPILER_VERSION_INTERNAL DEC(__ARMCOMPILER_VERSION)
+
+#elif defined(__clang__)
+# define COMPILER_ID "Clang"
+# if defined(_MSC_VER)
+#  define SIMULATE_ID "MSVC"
+# endif
+# define COMPILER_VERSION_MAJOR DEC(__clang_major__)
+# define COMPILER_VERSION_MINOR DEC(__clang_minor__)
+# define COMPILER_VERSION_PATCH DEC(__clang_patchlevel__)
+# if defined(_MSC_VER)
+   /* _MSC_VER = VVRR */
+#  define SIMULATE_VERSION_MAJOR DEC(_MSC_VER / 100)
+#  define SIMULATE_VERSION_MINOR DEC(_MSC_VER % 100)
+# endif
+
+#elif defined(__GNUC__)
+# define COMPILER_ID "GNU"
+# define COMPILER_VERSION_MAJOR DEC(__GNUC__)
+# if defined(__GNUC_MINOR__)
+#  define COMPILER_VERSION_MINOR DEC(__GNUC_MINOR__)
+# endif
+# if defined(__GNUC_PATCHLEVEL__)
+#  define COMPILER_VERSION_PATCH DEC(__GNUC_PATCHLEVEL__)
+# endif
+
+#elif defined(_MSC_VER)
+# define COMPILER_ID "MSVC"
+  /* _MSC_VER = VVRR */
+# define COMPILER_VERSION_MAJOR DEC(_MSC_VER / 100)
+# define COMPILER_VERSION_MINOR DEC(_MSC_VER % 100)
+# if defined(_MSC_FULL_VER)
+#  if _MSC_VER >= 1400
+    /* _MSC_FULL_VER = VVRRPPPPP */
+#   define COMPILER_VERSION_PATCH DEC(_MSC_FULL_VER % 100000)
+#  else
+    /* _MSC_FULL_VER = VVRRPPPP */
+#   define COMPILER_VERSION_PATCH DEC(_MSC_FULL_VER % 10000)
+#  endif
+# endif
+# if defined(_MSC_BUILD)
+#  define COMPILER_VERSION_TWEAK DEC(_MSC_BUILD)
+# endif
+
+#elif defined(__VISUALDSPVERSION__) || defined(__ADSPBLACKFIN__) || defined(__ADSPTS__) || defined(__ADSP21000__)
+# define COMPILER_ID "ADSP"
+#if defined(__VISUALDSPVERSION__)
+  /* __VISUALDSPVERSION__ = 0xVVRRPP00 */
+# define COMPILER_VERSION_MAJOR HEX(__VISUALDSPVERSION__>>24)
+# define COMPILER_VERSION_MINOR HEX(__VISUALDSPVERSION__>>16 & 0xFF)
+# define COMPILER_VERSION_PATCH HEX(__VISUALDSPVERSION__>>8  & 0xFF)
+#endif
+
+#elif defined(__IAR_SYSTEMS_ICC__) || defined(__IAR_SYSTEMS_ICC)
+# define COMPILER_ID "IAR"
+# if defined(__VER__) && defined(__ICCARM__)
+#  define COMPILER_VERSION_MAJOR DEC((__VER__) / 1000000)
+#  define COMPILER_VERSION_MINOR DEC(((__VER__) / 1000) % 1000)
+#  define COMPILER_VERSION_PATCH DEC((__VER__) % 1000)
+#  define COMPILER_VERSION_INTERNAL DEC(__IAR_SYSTEMS_ICC__)
+# elif defined(__VER__) && (defined(__ICCAVR__) || defined(__ICCRX__) || defined(__ICCRH850__) || defined(__ICCRL78__) || defined(__ICC430__) || defined(__ICCRISCV__) || defined(__ICCV850__) || defined(__ICC8051__))
+#  define COMPILER_VERSION_MAJOR DEC((__VER__) / 100)
+#  define COMPILER_VERSION_MINOR DEC((__VER__) - (((__VER__) / 100)*100))
+#  define COMPILER_VERSION_PATCH DEC(__SUBVERSION__)
+#  define COMPILER_VERSION_INTERNAL DEC(__IAR_SYSTEMS_ICC__)
+# endif
+
+#elif defined(__SDCC_VERSION_MAJOR) || defined(SDCC)
+# define COMPILER_ID "SDCC"
+# if defined(__SDCC_VERSION_MAJOR)
+#  define COMPILER_VERSION_MAJOR DEC(__SDCC_VERSION_MAJOR)
+#  define COMPILER_VERSION_MINOR DEC(__SDCC_VERSION_MINOR)
+#  define COMPILER_VERSION_PATCH DEC(__SDCC_VERSION_PATCH)
+# else
+  /* SDCC = VRP */
+#  define COMPILER_VERSION_MAJOR DEC(SDCC/100)
+#  define COMPILER_VERSION_MINOR DEC(SDCC/10 % 10)
+#  define COMPILER_VERSION_PATCH DEC(SDCC    % 10)
+# endif
+
+
+/* These compilers are either not known or too old to define an
+  identification macro.  Try to identify the platform and guess that
+  it is the native compiler.  */
+#elif defined(__hpux) || defined(__hpua)
+# define COMPILER_ID "HP"
+
+#else /* unknown compiler */
+# define COMPILER_ID ""
+#endif
+
+/* Construct the string literal in pieces to prevent the source from
+   getting matched.  Store it in a pointer rather than an array
+   because some compilers will just produce instructions to fill the
+   array rather than assigning a pointer to a static array.  */
+char const* info_compiler = "INFO" ":" "compiler[" COMPILER_ID "]";
+#ifdef SIMULATE_ID
+char const* info_simulate = "INFO" ":" "simulate[" SIMULATE_ID "]";
+#endif
+
+#ifdef __QNXNTO__
+char const* qnxnto = "INFO" ":" "qnxnto[]";
+#endif
+
+#if defined(__CRAYXE) || defined(__CRAYXC)
+char const *info_cray = "INFO" ":" "compiler_wrapper[CrayPrgEnv]";
+#endif
+
+#define STRINGIFY_HELPER(X) #X
+#define STRINGIFY(X) STRINGIFY_HELPER(X)
+
+/* Identify known platforms by name.  */
+#if defined(__linux) || defined(__linux__) || defined(linux)
+# define PLATFORM_ID "Linux"
+
+#elif defined(__CYGWIN__)
+# define PLATFORM_ID "Cygwin"
+
+#elif defined(__MINGW32__)
+# define PLATFORM_ID "MinGW"
+
+#elif defined(__APPLE__)
+# define PLATFORM_ID "Darwin"
+
+#elif defined(_WIN32) || defined(__WIN32__) || defined(WIN32)
+# define PLATFORM_ID "Windows"
+
+#elif defined(__FreeBSD__) || defined(__FreeBSD)
+# define PLATFORM_ID "FreeBSD"
+
+#elif defined(__NetBSD__) || defined(__NetBSD)
+# define PLATFORM_ID "NetBSD"
+
+#elif defined(__OpenBSD__) || defined(__OPENBSD)
+# define PLATFORM_ID "OpenBSD"
+
+#elif defined(__sun) || defined(sun)
+# define PLATFORM_ID "SunOS"
+
+#elif defined(_AIX) || defined(__AIX) || defined(__AIX__) || defined(__aix) || defined(__aix__)
+# define PLATFORM_ID "AIX"
+
+#elif defined(__hpux) || defined(__hpux__)
+# define PLATFORM_ID "HP-UX"
+
+#elif defined(__HAIKU__)
+# define PLATFORM_ID "Haiku"
+
+#elif defined(__BeOS) || defined(__BEOS__) || defined(_BEOS)
+# define PLATFORM_ID "BeOS"
+
+#elif defined(__QNX__) || defined(__QNXNTO__)
+# define PLATFORM_ID "QNX"
+
+#elif defined(__tru64) || defined(_tru64) || defined(__TRU64__)
+# define PLATFORM_ID "Tru64"
+
+#elif defined(__riscos) || defined(__riscos__)
+# define PLATFORM_ID "RISCos"
+
+#elif defined(__sinix) || defined(__sinix__) || defined(__SINIX__)
+# define PLATFORM_ID "SINIX"
+
+#elif defined(__UNIX_SV__)
+# define PLATFORM_ID "UNIX_SV"
+
+#elif defined(__bsdos__)
+# define PLATFORM_ID "BSDOS"
+
+#elif defined(_MPRAS) || defined(MPRAS)
+# define PLATFORM_ID "MP-RAS"
+
+#elif defined(__osf) || defined(__osf__)
+# define PLATFORM_ID "OSF1"
+
+#elif defined(_SCO_SV) || defined(SCO_SV) || defined(sco_sv)
+# define PLATFORM_ID "SCO_SV"
+
+#elif defined(__ultrix) || defined(__ultrix__) || defined(_ULTRIX)
+# define PLATFORM_ID "ULTRIX"
+
+#elif defined(__XENIX__) || defined(_XENIX) || defined(XENIX)
+# define PLATFORM_ID "Xenix"
+
+#elif defined(__WATCOMC__)
+# if defined(__LINUX__)
+#  define PLATFORM_ID "Linux"
+
+# elif defined(__DOS__)
+#  define PLATFORM_ID "DOS"
+
+# elif defined(__OS2__)
+#  define PLATFORM_ID "OS2"
+
+# elif defined(__WINDOWS__)
+#  define PLATFORM_ID "Windows3x"
+
+# elif defined(__VXWORKS__)
+#  define PLATFORM_ID "VxWorks"
+
+# else /* unknown platform */
+#  define PLATFORM_ID
+# endif
+
+#elif defined(__INTEGRITY)
+# if defined(INT_178B)
+#  define PLATFORM_ID "Integrity178"
+
+# else /* regular Integrity */
+#  define PLATFORM_ID "Integrity"
+# endif
+
+#else /* unknown platform */
+# define PLATFORM_ID
+
+#endif
+
+/* For windows compilers MSVC and Intel we can determine
+   the architecture of the compiler being used.  This is because
+   the compilers do not have flags that can change the architecture,
+   but rather depend on which compiler is being used
+*/
+#if defined(_WIN32) && defined(_MSC_VER)
+# if defined(_M_IA64)
+#  define ARCHITECTURE_ID "IA64"
+
+# elif defined(_M_X64) || defined(_M_AMD64)
+#  define ARCHITECTURE_ID "x64"
+
+# elif defined(_M_IX86)
+#  define ARCHITECTURE_ID "X86"
+
+# elif defined(_M_ARM64)
+#  define ARCHITECTURE_ID "ARM64"
+
+# elif defined(_M_ARM)
+#  if _M_ARM == 4
+#   define ARCHITECTURE_ID "ARMV4I"
+#  elif _M_ARM == 5
+#   define ARCHITECTURE_ID "ARMV5I"
+#  else
+#   define ARCHITECTURE_ID "ARMV" STRINGIFY(_M_ARM)
+#  endif
+
+# elif defined(_M_MIPS)
+#  define ARCHITECTURE_ID "MIPS"
+
+# elif defined(_M_SH)
+#  define ARCHITECTURE_ID "SHx"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+
+#elif defined(__WATCOMC__)
+# if defined(_M_I86)
+#  define ARCHITECTURE_ID "I86"
+
+# elif defined(_M_IX86)
+#  define ARCHITECTURE_ID "X86"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+
+#elif defined(__IAR_SYSTEMS_ICC__) || defined(__IAR_SYSTEMS_ICC)
+# if defined(__ICCARM__)
+#  define ARCHITECTURE_ID "ARM"
+
+# elif defined(__ICCRX__)
+#  define ARCHITECTURE_ID "RX"
+
+# elif defined(__ICCRH850__)
+#  define ARCHITECTURE_ID "RH850"
+
+# elif defined(__ICCRL78__)
+#  define ARCHITECTURE_ID "RL78"
+
+# elif defined(__ICCRISCV__)
+#  define ARCHITECTURE_ID "RISCV"
+
+# elif defined(__ICCAVR__)
+#  define ARCHITECTURE_ID "AVR"
+
+# elif defined(__ICC430__)
+#  define ARCHITECTURE_ID "MSP430"
+
+# elif defined(__ICCV850__)
+#  define ARCHITECTURE_ID "V850"
+
+# elif defined(__ICC8051__)
+#  define ARCHITECTURE_ID "8051"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+
+#elif defined(__ghs__)
+# if defined(__PPC64__)
+#  define ARCHITECTURE_ID "PPC64"
+
+# elif defined(__ppc__)
+#  define ARCHITECTURE_ID "PPC"
+
+# elif defined(__ARM__)
+#  define ARCHITECTURE_ID "ARM"
+
+# elif defined(__x86_64__)
+#  define ARCHITECTURE_ID "x64"
+
+# elif defined(__i386__)
+#  define ARCHITECTURE_ID "X86"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+#else
+#  define ARCHITECTURE_ID
+#endif
+
+/* Convert integer to decimal digit literals.  */
+#define DEC(n)                   \
+  ('0' + (((n) / 10000000)%10)), \
+  ('0' + (((n) / 1000000)%10)),  \
+  ('0' + (((n) / 100000)%10)),   \
+  ('0' + (((n) / 10000)%10)),    \
+  ('0' + (((n) / 1000)%10)),     \
+  ('0' + (((n) / 100)%10)),      \
+  ('0' + (((n) / 10)%10)),       \
+  ('0' +  ((n) % 10))
+
+/* Convert integer to hex digit literals.  */
+#define HEX(n)             \
+  ('0' + ((n)>>28 & 0xF)), \
+  ('0' + ((n)>>24 & 0xF)), \
+  ('0' + ((n)>>20 & 0xF)), \
+  ('0' + ((n)>>16 & 0xF)), \
+  ('0' + ((n)>>12 & 0xF)), \
+  ('0' + ((n)>>8  & 0xF)), \
+  ('0' + ((n)>>4  & 0xF)), \
+  ('0' + ((n)     & 0xF))
+
+/* Construct a string literal encoding the version number components. */
+#ifdef COMPILER_VERSION_MAJOR
+char const info_version[] = {
+  'I', 'N', 'F', 'O', ':',
+  'c','o','m','p','i','l','e','r','_','v','e','r','s','i','o','n','[',
+  COMPILER_VERSION_MAJOR,
+# ifdef COMPILER_VERSION_MINOR
+  '.', COMPILER_VERSION_MINOR,
+#  ifdef COMPILER_VERSION_PATCH
+   '.', COMPILER_VERSION_PATCH,
+#   ifdef COMPILER_VERSION_TWEAK
+    '.', COMPILER_VERSION_TWEAK,
+#   endif
+#  endif
+# endif
+  ']','\0'};
+#endif
+
+/* Construct a string literal encoding the internal version number. */
+#ifdef COMPILER_VERSION_INTERNAL
+char const info_version_internal[] = {
+  'I', 'N', 'F', 'O', ':',
+  'c','o','m','p','i','l','e','r','_','v','e','r','s','i','o','n','_',
+  'i','n','t','e','r','n','a','l','[',
+  COMPILER_VERSION_INTERNAL,']','\0'};
+#endif
+
+/* Construct a string literal encoding the version number components. */
+#ifdef SIMULATE_VERSION_MAJOR
+char const info_simulate_version[] = {
+  'I', 'N', 'F', 'O', ':',
+  's','i','m','u','l','a','t','e','_','v','e','r','s','i','o','n','[',
+  SIMULATE_VERSION_MAJOR,
+# ifdef SIMULATE_VERSION_MINOR
+  '.', SIMULATE_VERSION_MINOR,
+#  ifdef SIMULATE_VERSION_PATCH
+   '.', SIMULATE_VERSION_PATCH,
+#   ifdef SIMULATE_VERSION_TWEAK
+    '.', SIMULATE_VERSION_TWEAK,
+#   endif
+#  endif
+# endif
+  ']','\0'};
+#endif
+
+/* Construct the string literal in pieces to prevent the source from
+   getting matched.  Store it in a pointer rather than an array
+   because some compilers will just produce instructions to fill the
+   array rather than assigning a pointer to a static array.  */
+char const* info_platform = "INFO" ":" "platform[" PLATFORM_ID "]";
+char const* info_arch = "INFO" ":" "arch[" ARCHITECTURE_ID "]";
+
+
+
+
+#if !defined(__STDC__)
+# if (defined(_MSC_VER) && !defined(__clang__)) \
+  || (defined(__ibmxl__) || defined(__IBMC__))
+#  define C_DIALECT "90"
+# else
+#  define C_DIALECT
+# endif
+#elif __STDC_VERSION__ >= 201000L
+# define C_DIALECT "11"
+#elif __STDC_VERSION__ >= 199901L
+# define C_DIALECT "99"
+#else
+# define C_DIALECT "90"
+#endif
+const char* info_language_dialect_default =
+  "INFO" ":" "dialect_default[" C_DIALECT "]";
+
+/*--------------------------------------------------------------------------*/
+
+#ifdef ID_VOID_MAIN
+void main() {}
+#else
+# if defined(__CLASSIC_C__)
+int main(argc, argv) int argc; char *argv[];
+# else
+int main(int argc, char* argv[])
+# endif
+{
+  int require = 0;
+  require += info_compiler[argc];
+  require += info_platform[argc];
+  require += info_arch[argc];
+#ifdef COMPILER_VERSION_MAJOR
+  require += info_version[argc];
+#endif
+#ifdef COMPILER_VERSION_INTERNAL
+  require += info_version_internal[argc];
+#endif
+#ifdef SIMULATE_ID
+  require += info_simulate[argc];
+#endif
+#ifdef SIMULATE_VERSION_MAJOR
+  require += info_simulate_version[argc];
+#endif
+#if defined(__CRAYXE) || defined(__CRAYXC)
+  require += info_cray[argc];
+#endif
+  require += info_language_dialect_default[argc];
+  (void)argv;
+  return require;
+}
+#endif
diff --git a/doc/CMakeFiles/3.18.2/CompilerIdCXX/CMakeCXXCompilerId.cpp b/doc/CMakeFiles/3.18.2/CompilerIdCXX/CMakeCXXCompilerId.cpp
new file mode 100644
index 0000000000..37c21cafe9
--- /dev/null
+++ b/doc/CMakeFiles/3.18.2/CompilerIdCXX/CMakeCXXCompilerId.cpp
@@ -0,0 +1,663 @@
+/* This source file must have a .cpp extension so that all C++ compilers
+   recognize the extension without flags.  Borland does not know .cxx for
+   example.  */
+#ifndef __cplusplus
+# error "A C compiler has been selected for C++."
+#endif
+
+
+/* Version number components: V=Version, R=Revision, P=Patch
+   Version date components:   YYYY=Year, MM=Month,   DD=Day  */
+
+#if defined(__COMO__)
+# define COMPILER_ID "Comeau"
+  /* __COMO_VERSION__ = VRR */
+# define COMPILER_VERSION_MAJOR DEC(__COMO_VERSION__ / 100)
+# define COMPILER_VERSION_MINOR DEC(__COMO_VERSION__ % 100)
+
+#elif defined(__INTEL_COMPILER) || defined(__ICC)
+# define COMPILER_ID "Intel"
+# if defined(_MSC_VER)
+#  define SIMULATE_ID "MSVC"
+# endif
+# if defined(__GNUC__)
+#  define SIMULATE_ID "GNU"
+# endif
+  /* __INTEL_COMPILER = VRP */
+# define COMPILER_VERSION_MAJOR DEC(__INTEL_COMPILER/100)
+# define COMPILER_VERSION_MINOR DEC(__INTEL_COMPILER/10 % 10)
+# if defined(__INTEL_COMPILER_UPDATE)
+#  define COMPILER_VERSION_PATCH DEC(__INTEL_COMPILER_UPDATE)
+# else
+#  define COMPILER_VERSION_PATCH DEC(__INTEL_COMPILER   % 10)
+# endif
+# if defined(__INTEL_COMPILER_BUILD_DATE)
+  /* __INTEL_COMPILER_BUILD_DATE = YYYYMMDD */
+#  define COMPILER_VERSION_TWEAK DEC(__INTEL_COMPILER_BUILD_DATE)
+# endif
+# if defined(_MSC_VER)
+   /* _MSC_VER = VVRR */
+#  define SIMULATE_VERSION_MAJOR DEC(_MSC_VER / 100)
+#  define SIMULATE_VERSION_MINOR DEC(_MSC_VER % 100)
+# endif
+# if defined(__GNUC__)
+#  define SIMULATE_VERSION_MAJOR DEC(__GNUC__)
+# elif defined(__GNUG__)
+#  define SIMULATE_VERSION_MAJOR DEC(__GNUG__)
+# endif
+# if defined(__GNUC_MINOR__)
+#  define SIMULATE_VERSION_MINOR DEC(__GNUC_MINOR__)
+# endif
+# if defined(__GNUC_PATCHLEVEL__)
+#  define SIMULATE_VERSION_PATCH DEC(__GNUC_PATCHLEVEL__)
+# endif
+
+#elif defined(__PATHCC__)
+# define COMPILER_ID "PathScale"
+# define COMPILER_VERSION_MAJOR DEC(__PATHCC__)
+# define COMPILER_VERSION_MINOR DEC(__PATHCC_MINOR__)
+# if defined(__PATHCC_PATCHLEVEL__)
+#  define COMPILER_VERSION_PATCH DEC(__PATHCC_PATCHLEVEL__)
+# endif
+
+#elif defined(__BORLANDC__) && defined(__CODEGEARC_VERSION__)
+# define COMPILER_ID "Embarcadero"
+# define COMPILER_VERSION_MAJOR HEX(__CODEGEARC_VERSION__>>24 & 0x00FF)
+# define COMPILER_VERSION_MINOR HEX(__CODEGEARC_VERSION__>>16 & 0x00FF)
+# define COMPILER_VERSION_PATCH DEC(__CODEGEARC_VERSION__     & 0xFFFF)
+
+#elif defined(__BORLANDC__)
+# define COMPILER_ID "Borland"
+  /* __BORLANDC__ = 0xVRR */
+# define COMPILER_VERSION_MAJOR HEX(__BORLANDC__>>8)
+# define COMPILER_VERSION_MINOR HEX(__BORLANDC__ & 0xFF)
+
+#elif defined(__WATCOMC__) && __WATCOMC__ < 1200
+# define COMPILER_ID "Watcom"
+   /* __WATCOMC__ = VVRR */
+# define COMPILER_VERSION_MAJOR DEC(__WATCOMC__ / 100)
+# define COMPILER_VERSION_MINOR DEC((__WATCOMC__ / 10) % 10)
+# if (__WATCOMC__ % 10) > 0
+#  define COMPILER_VERSION_PATCH DEC(__WATCOMC__ % 10)
+# endif
+
+#elif defined(__WATCOMC__)
+# define COMPILER_ID "OpenWatcom"
+   /* __WATCOMC__ = VVRP + 1100 */
+# define COMPILER_VERSION_MAJOR DEC((__WATCOMC__ - 1100) / 100)
+# define COMPILER_VERSION_MINOR DEC((__WATCOMC__ / 10) % 10)
+# if (__WATCOMC__ % 10) > 0
+#  define COMPILER_VERSION_PATCH DEC(__WATCOMC__ % 10)
+# endif
+
+#elif defined(__SUNPRO_CC)
+# define COMPILER_ID "SunPro"
+# if __SUNPRO_CC >= 0x5100
+   /* __SUNPRO_CC = 0xVRRP */
+#  define COMPILER_VERSION_MAJOR HEX(__SUNPRO_CC>>12)
+#  define COMPILER_VERSION_MINOR HEX(__SUNPRO_CC>>4 & 0xFF)
+#  define COMPILER_VERSION_PATCH HEX(__SUNPRO_CC    & 0xF)
+# else
+   /* __SUNPRO_CC = 0xVRP */
+#  define COMPILER_VERSION_MAJOR HEX(__SUNPRO_CC>>8)
+#  define COMPILER_VERSION_MINOR HEX(__SUNPRO_CC>>4 & 0xF)
+#  define COMPILER_VERSION_PATCH HEX(__SUNPRO_CC    & 0xF)
+# endif
+
+#elif defined(__HP_aCC)
+# define COMPILER_ID "HP"
+  /* __HP_aCC = VVRRPP */
+# define COMPILER_VERSION_MAJOR DEC(__HP_aCC/10000)
+# define COMPILER_VERSION_MINOR DEC(__HP_aCC/100 % 100)
+# define COMPILER_VERSION_PATCH DEC(__HP_aCC     % 100)
+
+#elif defined(__DECCXX)
+# define COMPILER_ID "Compaq"
+  /* __DECCXX_VER = VVRRTPPPP */
+# define COMPILER_VERSION_MAJOR DEC(__DECCXX_VER/10000000)
+# define COMPILER_VERSION_MINOR DEC(__DECCXX_VER/100000  % 100)
+# define COMPILER_VERSION_PATCH DEC(__DECCXX_VER         % 10000)
+
+#elif defined(__IBMCPP__) && defined(__COMPILER_VER__)
+# define COMPILER_ID "zOS"
+  /* __IBMCPP__ = VRP */
+# define COMPILER_VERSION_MAJOR DEC(__IBMCPP__/100)
+# define COMPILER_VERSION_MINOR DEC(__IBMCPP__/10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__IBMCPP__    % 10)
+
+#elif defined(__ibmxl__) && defined(__clang__)
+# define COMPILER_ID "XLClang"
+# define COMPILER_VERSION_MAJOR DEC(__ibmxl_version__)
+# define COMPILER_VERSION_MINOR DEC(__ibmxl_release__)
+# define COMPILER_VERSION_PATCH DEC(__ibmxl_modification__)
+# define COMPILER_VERSION_TWEAK DEC(__ibmxl_ptf_fix_level__)
+
+
+#elif defined(__IBMCPP__) && !defined(__COMPILER_VER__) && __IBMCPP__ >= 800
+# define COMPILER_ID "XL"
+  /* __IBMCPP__ = VRP */
+# define COMPILER_VERSION_MAJOR DEC(__IBMCPP__/100)
+# define COMPILER_VERSION_MINOR DEC(__IBMCPP__/10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__IBMCPP__    % 10)
+
+#elif defined(__IBMCPP__) && !defined(__COMPILER_VER__) && __IBMCPP__ < 800
+# define COMPILER_ID "VisualAge"
+  /* __IBMCPP__ = VRP */
+# define COMPILER_VERSION_MAJOR DEC(__IBMCPP__/100)
+# define COMPILER_VERSION_MINOR DEC(__IBMCPP__/10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__IBMCPP__    % 10)
+
+#elif defined(__PGI)
+# define COMPILER_ID "PGI"
+# define COMPILER_VERSION_MAJOR DEC(__PGIC__)
+# define COMPILER_VERSION_MINOR DEC(__PGIC_MINOR__)
+# if defined(__PGIC_PATCHLEVEL__)
+#  define COMPILER_VERSION_PATCH DEC(__PGIC_PATCHLEVEL__)
+# endif
+
+#elif defined(_CRAYC)
+# define COMPILER_ID "Cray"
+# define COMPILER_VERSION_MAJOR DEC(_RELEASE_MAJOR)
+# define COMPILER_VERSION_MINOR DEC(_RELEASE_MINOR)
+
+#elif defined(__TI_COMPILER_VERSION__)
+# define COMPILER_ID "TI"
+  /* __TI_COMPILER_VERSION__ = VVVRRRPPP */
+# define COMPILER_VERSION_MAJOR DEC(__TI_COMPILER_VERSION__/1000000)
+# define COMPILER_VERSION_MINOR DEC(__TI_COMPILER_VERSION__/1000   % 1000)
+# define COMPILER_VERSION_PATCH DEC(__TI_COMPILER_VERSION__        % 1000)
+
+#elif defined(__FUJITSU) || defined(__FCC_VERSION) || defined(__fcc_version)
+# define COMPILER_ID "Fujitsu"
+
+#elif defined(__ghs__)
+# define COMPILER_ID "GHS"
+/* __GHS_VERSION_NUMBER = VVVVRP */
+# ifdef __GHS_VERSION_NUMBER
+# define COMPILER_VERSION_MAJOR DEC(__GHS_VERSION_NUMBER / 100)
+# define COMPILER_VERSION_MINOR DEC(__GHS_VERSION_NUMBER / 10 % 10)
+# define COMPILER_VERSION_PATCH DEC(__GHS_VERSION_NUMBER      % 10)
+# endif
+
+#elif defined(__SCO_VERSION__)
+# define COMPILER_ID "SCO"
+
+#elif defined(__ARMCC_VERSION) && !defined(__clang__)
+# define COMPILER_ID "ARMCC"
+#if __ARMCC_VERSION >= 1000000
+  /* __ARMCC_VERSION = VRRPPPP */
+  # define COMPILER_VERSION_MAJOR DEC(__ARMCC_VERSION/1000000)
+  # define COMPILER_VERSION_MINOR DEC(__ARMCC_VERSION/10000 % 100)
+  # define COMPILER_VERSION_PATCH DEC(__ARMCC_VERSION     % 10000)
+#else
+  /* __ARMCC_VERSION = VRPPPP */
+  # define COMPILER_VERSION_MAJOR DEC(__ARMCC_VERSION/100000)
+  # define COMPILER_VERSION_MINOR DEC(__ARMCC_VERSION/10000 % 10)
+  # define COMPILER_VERSION_PATCH DEC(__ARMCC_VERSION    % 10000)
+#endif
+
+
+#elif defined(__clang__) && defined(__apple_build_version__)
+# define COMPILER_ID "AppleClang"
+# if defined(_MSC_VER)
+#  define SIMULATE_ID "MSVC"
+# endif
+# define COMPILER_VERSION_MAJOR DEC(__clang_major__)
+# define COMPILER_VERSION_MINOR DEC(__clang_minor__)
+# define COMPILER_VERSION_PATCH DEC(__clang_patchlevel__)
+# if defined(_MSC_VER)
+   /* _MSC_VER = VVRR */
+#  define SIMULATE_VERSION_MAJOR DEC(_MSC_VER / 100)
+#  define SIMULATE_VERSION_MINOR DEC(_MSC_VER % 100)
+# endif
+# define COMPILER_VERSION_TWEAK DEC(__apple_build_version__)
+
+#elif defined(__clang__) && defined(__ARMCOMPILER_VERSION)
+# define COMPILER_ID "ARMClang"
+  # define COMPILER_VERSION_MAJOR DEC(__ARMCOMPILER_VERSION/1000000)
+  # define COMPILER_VERSION_MINOR DEC(__ARMCOMPILER_VERSION/10000 % 100)
+  # define COMPILER_VERSION_PATCH DEC(__ARMCOMPILER_VERSION     % 10000)
+# define COMPILER_VERSION_INTERNAL DEC(__ARMCOMPILER_VERSION)
+
+#elif defined(__clang__)
+# define COMPILER_ID "Clang"
+# if defined(_MSC_VER)
+#  define SIMULATE_ID "MSVC"
+# endif
+# define COMPILER_VERSION_MAJOR DEC(__clang_major__)
+# define COMPILER_VERSION_MINOR DEC(__clang_minor__)
+# define COMPILER_VERSION_PATCH DEC(__clang_patchlevel__)
+# if defined(_MSC_VER)
+   /* _MSC_VER = VVRR */
+#  define SIMULATE_VERSION_MAJOR DEC(_MSC_VER / 100)
+#  define SIMULATE_VERSION_MINOR DEC(_MSC_VER % 100)
+# endif
+
+#elif defined(__GNUC__) || defined(__GNUG__)
+# define COMPILER_ID "GNU"
+# if defined(__GNUC__)
+#  define COMPILER_VERSION_MAJOR DEC(__GNUC__)
+# else
+#  define COMPILER_VERSION_MAJOR DEC(__GNUG__)
+# endif
+# if defined(__GNUC_MINOR__)
+#  define COMPILER_VERSION_MINOR DEC(__GNUC_MINOR__)
+# endif
+# if defined(__GNUC_PATCHLEVEL__)
+#  define COMPILER_VERSION_PATCH DEC(__GNUC_PATCHLEVEL__)
+# endif
+
+#elif defined(_MSC_VER)
+# define COMPILER_ID "MSVC"
+  /* _MSC_VER = VVRR */
+# define COMPILER_VERSION_MAJOR DEC(_MSC_VER / 100)
+# define COMPILER_VERSION_MINOR DEC(_MSC_VER % 100)
+# if defined(_MSC_FULL_VER)
+#  if _MSC_VER >= 1400
+    /* _MSC_FULL_VER = VVRRPPPPP */
+#   define COMPILER_VERSION_PATCH DEC(_MSC_FULL_VER % 100000)
+#  else
+    /* _MSC_FULL_VER = VVRRPPPP */
+#   define COMPILER_VERSION_PATCH DEC(_MSC_FULL_VER % 10000)
+#  endif
+# endif
+# if defined(_MSC_BUILD)
+#  define COMPILER_VERSION_TWEAK DEC(_MSC_BUILD)
+# endif
+
+#elif defined(__VISUALDSPVERSION__) || defined(__ADSPBLACKFIN__) || defined(__ADSPTS__) || defined(__ADSP21000__)
+# define COMPILER_ID "ADSP"
+#if defined(__VISUALDSPVERSION__)
+  /* __VISUALDSPVERSION__ = 0xVVRRPP00 */
+# define COMPILER_VERSION_MAJOR HEX(__VISUALDSPVERSION__>>24)
+# define COMPILER_VERSION_MINOR HEX(__VISUALDSPVERSION__>>16 & 0xFF)
+# define COMPILER_VERSION_PATCH HEX(__VISUALDSPVERSION__>>8  & 0xFF)
+#endif
+
+#elif defined(__IAR_SYSTEMS_ICC__) || defined(__IAR_SYSTEMS_ICC)
+# define COMPILER_ID "IAR"
+# if defined(__VER__) && defined(__ICCARM__)
+#  define COMPILER_VERSION_MAJOR DEC((__VER__) / 1000000)
+#  define COMPILER_VERSION_MINOR DEC(((__VER__) / 1000) % 1000)
+#  define COMPILER_VERSION_PATCH DEC((__VER__) % 1000)
+#  define COMPILER_VERSION_INTERNAL DEC(__IAR_SYSTEMS_ICC__)
+# elif defined(__VER__) && (defined(__ICCAVR__) || defined(__ICCRX__) || defined(__ICCRH850__) || defined(__ICCRL78__) || defined(__ICC430__) || defined(__ICCRISCV__) || defined(__ICCV850__) || defined(__ICC8051__))
+#  define COMPILER_VERSION_MAJOR DEC((__VER__) / 100)
+#  define COMPILER_VERSION_MINOR DEC((__VER__) - (((__VER__) / 100)*100))
+#  define COMPILER_VERSION_PATCH DEC(__SUBVERSION__)
+#  define COMPILER_VERSION_INTERNAL DEC(__IAR_SYSTEMS_ICC__)
+# endif
+
+
+/* These compilers are either not known or too old to define an
+  identification macro.  Try to identify the platform and guess that
+  it is the native compiler.  */
+#elif defined(__hpux) || defined(__hpua)
+# define COMPILER_ID "HP"
+
+#else /* unknown compiler */
+# define COMPILER_ID ""
+#endif
+
+/* Construct the string literal in pieces to prevent the source from
+   getting matched.  Store it in a pointer rather than an array
+   because some compilers will just produce instructions to fill the
+   array rather than assigning a pointer to a static array.  */
+char const* info_compiler = "INFO" ":" "compiler[" COMPILER_ID "]";
+#ifdef SIMULATE_ID
+char const* info_simulate = "INFO" ":" "simulate[" SIMULATE_ID "]";
+#endif
+
+#ifdef __QNXNTO__
+char const* qnxnto = "INFO" ":" "qnxnto[]";
+#endif
+
+#if defined(__CRAYXE) || defined(__CRAYXC)
+char const *info_cray = "INFO" ":" "compiler_wrapper[CrayPrgEnv]";
+#endif
+
+#define STRINGIFY_HELPER(X) #X
+#define STRINGIFY(X) STRINGIFY_HELPER(X)
+
+/* Identify known platforms by name.  */
+#if defined(__linux) || defined(__linux__) || defined(linux)
+# define PLATFORM_ID "Linux"
+
+#elif defined(__CYGWIN__)
+# define PLATFORM_ID "Cygwin"
+
+#elif defined(__MINGW32__)
+# define PLATFORM_ID "MinGW"
+
+#elif defined(__APPLE__)
+# define PLATFORM_ID "Darwin"
+
+#elif defined(_WIN32) || defined(__WIN32__) || defined(WIN32)
+# define PLATFORM_ID "Windows"
+
+#elif defined(__FreeBSD__) || defined(__FreeBSD)
+# define PLATFORM_ID "FreeBSD"
+
+#elif defined(__NetBSD__) || defined(__NetBSD)
+# define PLATFORM_ID "NetBSD"
+
+#elif defined(__OpenBSD__) || defined(__OPENBSD)
+# define PLATFORM_ID "OpenBSD"
+
+#elif defined(__sun) || defined(sun)
+# define PLATFORM_ID "SunOS"
+
+#elif defined(_AIX) || defined(__AIX) || defined(__AIX__) || defined(__aix) || defined(__aix__)
+# define PLATFORM_ID "AIX"
+
+#elif defined(__hpux) || defined(__hpux__)
+# define PLATFORM_ID "HP-UX"
+
+#elif defined(__HAIKU__)
+# define PLATFORM_ID "Haiku"
+
+#elif defined(__BeOS) || defined(__BEOS__) || defined(_BEOS)
+# define PLATFORM_ID "BeOS"
+
+#elif defined(__QNX__) || defined(__QNXNTO__)
+# define PLATFORM_ID "QNX"
+
+#elif defined(__tru64) || defined(_tru64) || defined(__TRU64__)
+# define PLATFORM_ID "Tru64"
+
+#elif defined(__riscos) || defined(__riscos__)
+# define PLATFORM_ID "RISCos"
+
+#elif defined(__sinix) || defined(__sinix__) || defined(__SINIX__)
+# define PLATFORM_ID "SINIX"
+
+#elif defined(__UNIX_SV__)
+# define PLATFORM_ID "UNIX_SV"
+
+#elif defined(__bsdos__)
+# define PLATFORM_ID "BSDOS"
+
+#elif defined(_MPRAS) || defined(MPRAS)
+# define PLATFORM_ID "MP-RAS"
+
+#elif defined(__osf) || defined(__osf__)
+# define PLATFORM_ID "OSF1"
+
+#elif defined(_SCO_SV) || defined(SCO_SV) || defined(sco_sv)
+# define PLATFORM_ID "SCO_SV"
+
+#elif defined(__ultrix) || defined(__ultrix__) || defined(_ULTRIX)
+# define PLATFORM_ID "ULTRIX"
+
+#elif defined(__XENIX__) || defined(_XENIX) || defined(XENIX)
+# define PLATFORM_ID "Xenix"
+
+#elif defined(__WATCOMC__)
+# if defined(__LINUX__)
+#  define PLATFORM_ID "Linux"
+
+# elif defined(__DOS__)
+#  define PLATFORM_ID "DOS"
+
+# elif defined(__OS2__)
+#  define PLATFORM_ID "OS2"
+
+# elif defined(__WINDOWS__)
+#  define PLATFORM_ID "Windows3x"
+
+# elif defined(__VXWORKS__)
+#  define PLATFORM_ID "VxWorks"
+
+# else /* unknown platform */
+#  define PLATFORM_ID
+# endif
+
+#elif defined(__INTEGRITY)
+# if defined(INT_178B)
+#  define PLATFORM_ID "Integrity178"
+
+# else /* regular Integrity */
+#  define PLATFORM_ID "Integrity"
+# endif
+
+#else /* unknown platform */
+# define PLATFORM_ID
+
+#endif
+
+/* For windows compilers MSVC and Intel we can determine
+   the architecture of the compiler being used.  This is because
+   the compilers do not have flags that can change the architecture,
+   but rather depend on which compiler is being used
+*/
+#if defined(_WIN32) && defined(_MSC_VER)
+# if defined(_M_IA64)
+#  define ARCHITECTURE_ID "IA64"
+
+# elif defined(_M_X64) || defined(_M_AMD64)
+#  define ARCHITECTURE_ID "x64"
+
+# elif defined(_M_IX86)
+#  define ARCHITECTURE_ID "X86"
+
+# elif defined(_M_ARM64)
+#  define ARCHITECTURE_ID "ARM64"
+
+# elif defined(_M_ARM)
+#  if _M_ARM == 4
+#   define ARCHITECTURE_ID "ARMV4I"
+#  elif _M_ARM == 5
+#   define ARCHITECTURE_ID "ARMV5I"
+#  else
+#   define ARCHITECTURE_ID "ARMV" STRINGIFY(_M_ARM)
+#  endif
+
+# elif defined(_M_MIPS)
+#  define ARCHITECTURE_ID "MIPS"
+
+# elif defined(_M_SH)
+#  define ARCHITECTURE_ID "SHx"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+
+#elif defined(__WATCOMC__)
+# if defined(_M_I86)
+#  define ARCHITECTURE_ID "I86"
+
+# elif defined(_M_IX86)
+#  define ARCHITECTURE_ID "X86"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+
+#elif defined(__IAR_SYSTEMS_ICC__) || defined(__IAR_SYSTEMS_ICC)
+# if defined(__ICCARM__)
+#  define ARCHITECTURE_ID "ARM"
+
+# elif defined(__ICCRX__)
+#  define ARCHITECTURE_ID "RX"
+
+# elif defined(__ICCRH850__)
+#  define ARCHITECTURE_ID "RH850"
+
+# elif defined(__ICCRL78__)
+#  define ARCHITECTURE_ID "RL78"
+
+# elif defined(__ICCRISCV__)
+#  define ARCHITECTURE_ID "RISCV"
+
+# elif defined(__ICCAVR__)
+#  define ARCHITECTURE_ID "AVR"
+
+# elif defined(__ICC430__)
+#  define ARCHITECTURE_ID "MSP430"
+
+# elif defined(__ICCV850__)
+#  define ARCHITECTURE_ID "V850"
+
+# elif defined(__ICC8051__)
+#  define ARCHITECTURE_ID "8051"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+
+#elif defined(__ghs__)
+# if defined(__PPC64__)
+#  define ARCHITECTURE_ID "PPC64"
+
+# elif defined(__ppc__)
+#  define ARCHITECTURE_ID "PPC"
+
+# elif defined(__ARM__)
+#  define ARCHITECTURE_ID "ARM"
+
+# elif defined(__x86_64__)
+#  define ARCHITECTURE_ID "x64"
+
+# elif defined(__i386__)
+#  define ARCHITECTURE_ID "X86"
+
+# else /* unknown architecture */
+#  define ARCHITECTURE_ID ""
+# endif
+#else
+#  define ARCHITECTURE_ID
+#endif
+
+/* Convert integer to decimal digit literals.  */
+#define DEC(n)                   \
+  ('0' + (((n) / 10000000)%10)), \
+  ('0' + (((n) / 1000000)%10)),  \
+  ('0' + (((n) / 100000)%10)),   \
+  ('0' + (((n) / 10000)%10)),    \
+  ('0' + (((n) / 1000)%10)),     \
+  ('0' + (((n) / 100)%10)),      \
+  ('0' + (((n) / 10)%10)),       \
+  ('0' +  ((n) % 10))
+
+/* Convert integer to hex digit literals.  */
+#define HEX(n)             \
+  ('0' + ((n)>>28 & 0xF)), \
+  ('0' + ((n)>>24 & 0xF)), \
+  ('0' + ((n)>>20 & 0xF)), \
+  ('0' + ((n)>>16 & 0xF)), \
+  ('0' + ((n)>>12 & 0xF)), \
+  ('0' + ((n)>>8  & 0xF)), \
+  ('0' + ((n)>>4  & 0xF)), \
+  ('0' + ((n)     & 0xF))
+
+/* Construct a string literal encoding the version number components. */
+#ifdef COMPILER_VERSION_MAJOR
+char const info_version[] = {
+  'I', 'N', 'F', 'O', ':',
+  'c','o','m','p','i','l','e','r','_','v','e','r','s','i','o','n','[',
+  COMPILER_VERSION_MAJOR,
+# ifdef COMPILER_VERSION_MINOR
+  '.', COMPILER_VERSION_MINOR,
+#  ifdef COMPILER_VERSION_PATCH
+   '.', COMPILER_VERSION_PATCH,
+#   ifdef COMPILER_VERSION_TWEAK
+    '.', COMPILER_VERSION_TWEAK,
+#   endif
+#  endif
+# endif
+  ']','\0'};
+#endif
+
+/* Construct a string literal encoding the internal version number. */
+#ifdef COMPILER_VERSION_INTERNAL
+char const info_version_internal[] = {
+  'I', 'N', 'F', 'O', ':',
+  'c','o','m','p','i','l','e','r','_','v','e','r','s','i','o','n','_',
+  'i','n','t','e','r','n','a','l','[',
+  COMPILER_VERSION_INTERNAL,']','\0'};
+#endif
+
+/* Construct a string literal encoding the version number components. */
+#ifdef SIMULATE_VERSION_MAJOR
+char const info_simulate_version[] = {
+  'I', 'N', 'F', 'O', ':',
+  's','i','m','u','l','a','t','e','_','v','e','r','s','i','o','n','[',
+  SIMULATE_VERSION_MAJOR,
+# ifdef SIMULATE_VERSION_MINOR
+  '.', SIMULATE_VERSION_MINOR,
+#  ifdef SIMULATE_VERSION_PATCH
+   '.', SIMULATE_VERSION_PATCH,
+#   ifdef SIMULATE_VERSION_TWEAK
+    '.', SIMULATE_VERSION_TWEAK,
+#   endif
+#  endif
+# endif
+  ']','\0'};
+#endif
+
+/* Construct the string literal in pieces to prevent the source from
+   getting matched.  Store it in a pointer rather than an array
+   because some compilers will just produce instructions to fill the
+   array rather than assigning a pointer to a static array.  */
+char const* info_platform = "INFO" ":" "platform[" PLATFORM_ID "]";
+char const* info_arch = "INFO" ":" "arch[" ARCHITECTURE_ID "]";
+
+
+
+
+#if defined(__INTEL_COMPILER) && defined(_MSVC_LANG) && _MSVC_LANG < 201403L
+#  if defined(__INTEL_CXX11_MODE__)
+#    if defined(__cpp_aggregate_nsdmi)
+#      define CXX_STD 201402L
+#    else
+#      define CXX_STD 201103L
+#    endif
+#  else
+#    define CXX_STD 199711L
+#  endif
+#elif defined(_MSC_VER) && defined(_MSVC_LANG)
+#  define CXX_STD _MSVC_LANG
+#else
+#  define CXX_STD __cplusplus
+#endif
+
+const char* info_language_dialect_default = "INFO" ":" "dialect_default["
+#if CXX_STD > 201703L
+  "20"
+#elif CXX_STD >= 201703L
+  "17"
+#elif CXX_STD >= 201402L
+  "14"
+#elif CXX_STD >= 201103L
+  "11"
+#else
+  "98"
+#endif
+"]";
+
+/*--------------------------------------------------------------------------*/
+
+int main(int argc, char* argv[])
+{
+  int require = 0;
+  require += info_compiler[argc];
+  require += info_platform[argc];
+#ifdef COMPILER_VERSION_MAJOR
+  require += info_version[argc];
+#endif
+#ifdef COMPILER_VERSION_INTERNAL
+  require += info_version_internal[argc];
+#endif
+#ifdef SIMULATE_ID
+  require += info_simulate[argc];
+#endif
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new file mode 100644
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--- /dev/null
+++ b/doc/CMakeFiles/Export/lib/cmake/LAMMPS/LAMMPS_Targets-relwithdebinfo.cmake
@@ -0,0 +1,29 @@
+#----------------------------------------------------------------
+# Generated CMake target import file for configuration "RelWithDebInfo".
+#----------------------------------------------------------------
+
+# Commands may need to know the format version.
+set(CMAKE_IMPORT_FILE_VERSION 1)
+
+# Import target "LAMMPS::lmp" for configuration "RelWithDebInfo"
+set_property(TARGET LAMMPS::lmp APPEND PROPERTY IMPORTED_CONFIGURATIONS RELWITHDEBINFO)
+set_target_properties(LAMMPS::lmp PROPERTIES
+  IMPORTED_LOCATION_RELWITHDEBINFO "${_IMPORT_PREFIX}/bin/lmp"
+  )
+
+list(APPEND _IMPORT_CHECK_TARGETS LAMMPS::lmp )
+list(APPEND _IMPORT_CHECK_FILES_FOR_LAMMPS::lmp "${_IMPORT_PREFIX}/bin/lmp" )
+
+# Import target "LAMMPS::lammps" for configuration "RelWithDebInfo"
+set_property(TARGET LAMMPS::lammps APPEND PROPERTY IMPORTED_CONFIGURATIONS RELWITHDEBINFO)
+set_target_properties(LAMMPS::lammps PROPERTIES
+  IMPORTED_LINK_DEPENDENT_LIBRARIES_RELWITHDEBINFO "Python::Python"
+  IMPORTED_LOCATION_RELWITHDEBINFO "${_IMPORT_PREFIX}/lib/liblammps.0.dylib"
+  IMPORTED_SONAME_RELWITHDEBINFO "@rpath/liblammps.0.dylib"
+  )
+
+list(APPEND _IMPORT_CHECK_TARGETS LAMMPS::lammps )
+list(APPEND _IMPORT_CHECK_FILES_FOR_LAMMPS::lammps "${_IMPORT_PREFIX}/lib/liblammps.0.dylib" )
+
+# Commands beyond this point should not need to know the version.
+set(CMAKE_IMPORT_FILE_VERSION)
diff --git a/doc/CMakeFiles/Export/lib/cmake/LAMMPS/LAMMPS_Targets.cmake b/doc/CMakeFiles/Export/lib/cmake/LAMMPS/LAMMPS_Targets.cmake
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index 0000000000..1223ec902a
--- /dev/null
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+# Generated by CMake
+
+if("${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}" LESS 2.5)
+   message(FATAL_ERROR "CMake >= 2.6.0 required")
+endif()
+cmake_policy(PUSH)
+cmake_policy(VERSION 2.6...3.17)
+#----------------------------------------------------------------
+# Generated CMake target import file.
+#----------------------------------------------------------------
+
+# Commands may need to know the format version.
+set(CMAKE_IMPORT_FILE_VERSION 1)
+
+# Protect against multiple inclusion, which would fail when already imported targets are added once more.
+set(_targetsDefined)
+set(_targetsNotDefined)
+set(_expectedTargets)
+foreach(_expectedTarget LAMMPS::lmp LAMMPS::lammps)
+  list(APPEND _expectedTargets ${_expectedTarget})
+  if(NOT TARGET ${_expectedTarget})
+    list(APPEND _targetsNotDefined ${_expectedTarget})
+  endif()
+  if(TARGET ${_expectedTarget})
+    list(APPEND _targetsDefined ${_expectedTarget})
+  endif()
+endforeach()
+if("${_targetsDefined}" STREQUAL "${_expectedTargets}")
+  unset(_targetsDefined)
+  unset(_targetsNotDefined)
+  unset(_expectedTargets)
+  set(CMAKE_IMPORT_FILE_VERSION)
+  cmake_policy(POP)
+  return()
+endif()
+if(NOT "${_targetsDefined}" STREQUAL "")
+  message(FATAL_ERROR "Some (but not all) targets in this export set were already defined.\nTargets Defined: ${_targetsDefined}\nTargets not yet defined: ${_targetsNotDefined}\n")
+endif()
+unset(_targetsDefined)
+unset(_targetsNotDefined)
+unset(_expectedTargets)
+
+
+# Compute the installation prefix relative to this file.
+get_filename_component(_IMPORT_PREFIX "${CMAKE_CURRENT_LIST_FILE}" PATH)
+get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
+get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
+get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
+if(_IMPORT_PREFIX STREQUAL "/")
+  set(_IMPORT_PREFIX "")
+endif()
+
+# Create imported target LAMMPS::lmp
+add_executable(LAMMPS::lmp IMPORTED)
+
+# Create imported target LAMMPS::lammps
+add_library(LAMMPS::lammps SHARED IMPORTED)
+
+set_target_properties(LAMMPS::lammps PROPERTIES
+  INTERFACE_COMPILE_DEFINITIONS "LAMMPS_SMALLBIG;LAMMPS_EXCEPTIONS"
+  INTERFACE_INCLUDE_DIRECTORIES "${_IMPORT_PREFIX}/include/lammps"
+  INTERFACE_LINK_LIBRARIES "MPI::MPI_CXX"
+)
+
+if(CMAKE_VERSION VERSION_LESS 2.8.12)
+  message(FATAL_ERROR "This file relies on consumers using CMake 2.8.12 or greater.")
+endif()
+
+# Load information for each installed configuration.
+get_filename_component(_DIR "${CMAKE_CURRENT_LIST_FILE}" PATH)
+file(GLOB CONFIG_FILES "${_DIR}/LAMMPS_Targets-*.cmake")
+foreach(f ${CONFIG_FILES})
+  include(${f})
+endforeach()
+
+# Cleanup temporary variables.
+set(_IMPORT_PREFIX)
+
+# Loop over all imported files and verify that they actually exist
+foreach(target ${_IMPORT_CHECK_TARGETS} )
+  foreach(file ${_IMPORT_CHECK_FILES_FOR_${target}} )
+    if(NOT EXISTS "${file}" )
+      message(FATAL_ERROR "The imported target \"${target}\" references the file
+   \"${file}\"
+but this file does not exist.  Possible reasons include:
+* The file was deleted, renamed, or moved to another location.
+* An install or uninstall procedure did not complete successfully.
+* The installation package was faulty and contained
+   \"${CMAKE_CURRENT_LIST_FILE}\"
+but not all the files it references.
+")
+    endif()
+  endforeach()
+  unset(_IMPORT_CHECK_FILES_FOR_${target})
+endforeach()
+unset(_IMPORT_CHECK_TARGETS)
+
+# This file does not depend on other imported targets which have
+# been exported from the same project but in a separate export set.
+
+# Commands beyond this point should not need to know the version.
+set(CMAKE_IMPORT_FILE_VERSION)
+cmake_policy(POP)
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new file mode 100644
index 0000000000..7c96d54a8f
--- /dev/null
+++ b/doc/CMakeFiles/FindMPI/test_mpi.cpp
@@ -0,0 +1,38 @@
+#include <mpi.h>
+
+#ifdef __cplusplus
+#  include <cstdio>
+#else
+#  include <stdio.h>
+#endif
+
+#if defined(MPI_VERSION) && defined(MPI_SUBVERSION)
+const char mpiver_str[] = { 'I', 'N',
+                            'F', 'O',
+                            ':', 'M',
+                            'P', 'I',
+                            '-', 'V',
+                            'E', 'R',
+                            '[', ('0' + MPI_VERSION),
+                            '.', ('0' + MPI_SUBVERSION),
+                            ']', '\0' };
+#endif
+
+int main(int argc, char* argv[])
+{
+#if defined(MPI_VERSION) && defined(MPI_SUBVERSION)
+#  ifdef __cplusplus
+  std::puts(mpiver_str);
+#  else
+  puts(mpiver_str);
+#  endif
+#endif
+#ifdef TEST_MPI_MPICXX
+  MPI::MPI_Init(&argc, &argv);
+  MPI::MPI_Finalize();
+#else
+  MPI_Init(&argc, &argv);
+  MPI_Finalize();
+#endif
+  return 0;
+}
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new file mode 100644
index 0000000000..3321e6b19b
--- /dev/null
+++ b/doc/CMakeFiles/FindOpenMP/OpenMPCheckVersion.cpp
@@ -0,0 +1,17 @@
+
+#include <stdio.h>
+#include <omp.h>
+const char ompver_str[] = { 'I', 'N', 'F', 'O', ':', 'O', 'p', 'e', 'n', 'M',
+                            'P', '-', 'd', 'a', 't', 'e', '[',
+                            ('0' + ((_OPENMP/100000)%10)),
+                            ('0' + ((_OPENMP/10000)%10)),
+                            ('0' + ((_OPENMP/1000)%10)),
+                            ('0' + ((_OPENMP/100)%10)),
+                            ('0' + ((_OPENMP/10)%10)),
+                            ('0' + ((_OPENMP/1)%10)),
+                            ']', '\0' };
+int main(void)
+{
+  puts(ompver_str);
+  return 0;
+}
diff --git a/doc/CMakeFiles/FindOpenMP/OpenMPTryFlag.cpp b/doc/CMakeFiles/FindOpenMP/OpenMPTryFlag.cpp
new file mode 100644
index 0000000000..4aea0b0914
--- /dev/null
+++ b/doc/CMakeFiles/FindOpenMP/OpenMPTryFlag.cpp
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+
+#include <omp.h>
+int main(void) {
+#ifdef _OPENMP
+  omp_get_max_threads();
+  return 0;
+#elif defined(__HIP_DEVICE_COMPILE__)
+  return 0;
+#else
+  breaks_on_purpose
+#endif
+}
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+# The generator used is:
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+# The top level Makefile was generated from the following files:
+set(CMAKE_MAKEFILE_DEPENDS
+  "CMakeCache.txt"
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+  "/Users/ngoccuongnguyen/lammps/cmake/Modules/Packages/KSPACE.cmake"
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+  "/Users/ngoccuongnguyen/lammps/cmake/etc/profile.d/lammps.csh.in"
+  "/Users/ngoccuongnguyen/lammps/cmake/etc/profile.d/lammps.sh.in"
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+styles/packages_region.h
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+styles/style_compute.h
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+styles/style_dihedral.h
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+styles/style_dump.h
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+dump_xyz.h
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+styles/style_fix.h
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_eam_fs.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_eam_he.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_lcbop.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_meam_spline.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_nb3b_harmonic.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_nb3b_harmonic.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_nb3b_harmonic.s"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_sw_mod.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_mod_c.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_mod_c.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_mod_c.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_table.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_table.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_table.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_zbl.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_tersoff_zbl.s"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MANYBODY/pair_vashishta.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-POD/compute_podfit.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-POD/pod.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-SNAP/compute_sna_atom.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-SNAP/compute_sna_atom.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-SNAP/compute_snad_atom.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-SNAP/compute_snad_atom.i"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-SNAP/compute_snav_atom.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/ML-SNAP/compute_snav_atom.s"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/angle_cosine_squared.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/angle_cosine_squared.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/angle_cosine_squared.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/angle_harmonic.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/atom_vec_angle.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/atom_vec_angle.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/atom_vec_angle.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/atom_vec_bond.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/atom_vec_bond.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/atom_vec_bond.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/MOLECULE/atom_vec_full.o"
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+	@echo "... Users/ngoccuongnguyen/lammps/src/special.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/special.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/table_file_reader.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/table_file_reader.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/table_file_reader.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/tabular_function.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/tabular_function.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/tabular_function.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/text_file_reader.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/text_file_reader.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/text_file_reader.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/thermo.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/thermo.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/thermo.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/timer.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/timer.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/timer.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/tokenizer.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/tokenizer.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/tokenizer.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/universe.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/universe.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/universe.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/update.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/update.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/update.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/utils.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/utils.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/utils.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/variable.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/variable.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/variable.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/velocity.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/velocity.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/velocity.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/verlet.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/verlet.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/verlet.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_coeff.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_coeff.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_coeff.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_data.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_data.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_data.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_dump.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_dump.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_dump.s"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_restart.o"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_restart.i"
+	@echo "... Users/ngoccuongnguyen/lammps/src/write_restart.s"
+.PHONY : help
 
-# ------------------------------------------
 
-clean-all: clean
-	rm -rf $(BUILDDIR)/docenv $(MATHJAX) $(BUILDDIR)/LAMMPS.mobi $(BUILDDIR)/LAMMPS.epub $(BUILDDIR)/Manual.pdf
 
-clean: clean-spelling
-	rm -rf $(BUILDDIR)/html $(BUILDDIR)/epub $(BUILDDIR)/latex $(BUILDDIR)/doctrees $(BUILDDIR)/doxygen/xml $(BUILDDIR)/doxygen-warn.log $(BUILDDIR)/doxygen/Doxyfile $(SPHINXCONFIG)/conf.py $(BUILDDIR)/fasthtml
+#=============================================================================
+# Special targets to cleanup operation of make.
 
-clean-spelling:
-	rm -rf $(BUILDDIR)/spelling
+# Special rule to run CMake to check the build system integrity.
+# No rule that depends on this can have commands that come from listfiles
+# because they might be regenerated.
+cmake_check_build_system:
+	$(CMAKE_COMMAND) -S$(CMAKE_SOURCE_DIR) -B$(CMAKE_BINARY_DIR) --check-build-system CMakeFiles/Makefile.cmake 0
+.PHONY : cmake_check_build_system
 
-$(SPHINXCONFIG)/conf.py: $(SPHINXCONFIG)/conf.py.in
-	sed -e 's,@DOXYGEN_XML_DIR@,$(BUILDDIR)/doxygen/xml,g'   \
-	    -e 's,@LAMMPS_SOURCE_DIR@,$(BUILDDIR)/../src,g'    \
-	    -e 's,@LAMMPS_PYTHON_DIR@,$(BUILDDIR)/../python,g' \
-	    -e 's,@LAMMPS_DOC_DIR@,$(BUILDDIR),g' $< > $@
-
-html: xmlgen $(VENV) $(SPHINXCONFIG)/conf.py $(ANCHORCHECK) $(MATHJAX)
-	@if [ "$(HAS_BASH)" == "NO" ] ; then echo "bash was not found at $(OSHELL)! Please use: $(MAKE) SHELL=/path/to/bash" 1>&2; exit 1; fi
-	@$(MAKE) $(MFLAGS) -C graphviz all
-	@(\
-		. $(VENV)/bin/activate ; env PYTHONWARNINGS= \
-		sphinx-build $(SPHINXEXTRA) -b html -c $(SPHINXCONFIG) -d $(BUILDDIR)/doctrees $(RSTDIR) html ;\
-		ln -sf Manual.html html/index.html;\
-		rm -f $(BUILDDIR)/doxygen/xml/run.stamp;\
-		echo "############################################" ;\
-		rst_anchor_check src/*.rst ;\
-		python $(BUILDDIR)/utils/check-packages.py -s ../src -d src ;\
-		env LC_ALL=C grep -n '[^ -~]' $(RSTDIR)/*.rst ;\
-		python $(BUILDDIR)/utils/check-styles.py -s ../src -d src ;\
-		echo "############################################" ;\
-		deactivate ;\
-	)
-	@rm -rf html/_sources
-	@rm -rf html/PDF
-	@rm -rf html/USER
-	@rm -rf html/JPG
-	@cp -r src/PDF html/PDF
-	@rm -rf html/PDF/.[sg]*
-	@echo "Build finished. The HTML pages are in doc/html."
-
-fasthtml: xmlgen $(VENV) $(SPHINXCONFIG)/conf.py $(ANCHORCHECK) $(MATHJAX)
-	@if [ "$(HAS_BASH)" == "NO" ] ; then echo "bash was not found at $(OSHELL)! Please use: $(MAKE) SHELL=/path/to/bash" 1>&2; exit 1; fi
-	@$(MAKE) $(MFLAGS) -C graphviz all
-	@mkdir -p fasthtml
-	@(\
-		. $(VENV)/bin/activate ; env PYTHONWARNINGS= \
-		sphinx-build -j 4 -b html -c $(SPHINXCONFIG) -d $(BUILDDIR)/fasthtml/doctrees $(RSTDIR) fasthtml ;\
-		deactivate ;\
-	)
-	@rm -rf fasthtml/_sources
-	@rm -rf fasthtml/PDF
-	@rm -rf fasthtml/USER
-	@rm -rf fasthtml/JPG
-	@cp -r src/PDF fasthtml/PDF
-	@rm -rf fasthtml/PDF/.[sg]*
-	@echo "Fast HTML build finished. The HTML pages are in doc/fasthtml."
-
-spelling: xmlgen $(SPHINXCONFIG)/conf.py $(VENV) $(SPHINXCONFIG)/false_positives.txt
-	@if [ "$(HAS_BASH)" == "NO" ] ; then echo "bash was not found at $(OSHELL)! Please use: $(MAKE) SHELL=/path/to/bash" 1>&2; exit 1; fi
-	@(\
-		. $(VENV)/bin/activate ; env PYTHONWARNINGS= \
-		cp $(SPHINXCONFIG)/false_positives.txt $(RSTDIR)/ ; env PYTHONWARNINGS= \
-		sphinx-build -b spelling -c $(SPHINXCONFIG) -d $(BUILDDIR)/doctrees $(RSTDIR) spelling ;\
-		rm -f $(BUILDDIR)/doxygen/xml/run.stamp;\
-		deactivate ;\
-	)
-	@echo "Spell check finished."
-
-epub: xmlgen $(VENV) $(SPHINXCONFIG)/conf.py $(ANCHORCHECK)
-	@if [ "$(HAS_BASH)" == "NO" ] ; then echo "bash was not found at $(OSHELL)! Please use: $(MAKE) SHELL=/path/to/bash" 1>&2; exit 1; fi
-	@$(MAKE) $(MFLAGS) -C graphviz all
-	@mkdir -p epub/JPG
-	@rm -f LAMMPS.epub
-	@cp src/JPG/*.* epub/JPG
-	@(\
-		. $(VENV)/bin/activate ;\
-		sphinx-build $(SPHINXEXTRA) -b epub -c $(SPHINXCONFIG) -d $(BUILDDIR)/doctrees $(RSTDIR) epub ;\
-		rm -f $(BUILDDIR)/doxygen/xml/run.stamp;\
-		deactivate ;\
-	)
-	@mv  epub/LAMMPS.epub .
-	@rm -rf epub
-	@echo "Build finished. The ePUB manual file is created."
-
-mobi: epub
-	@rm -f LAMMPS.mobi
-	@ebook-convert LAMMPS.epub LAMMPS.mobi
-	@echo "Conversion finished. The MOBI manual file is created."
-
-pdf: xmlgen $(VENV) $(SPHINXCONFIG)/conf.py $(ANCHORCHECK)
-	@if [ "$(HAS_BASH)" == "NO" ] ; then echo "bash was not found at $(OSHELL)! Please use: $(MAKE) SHELL=/path/to/bash" 1>&2; exit 1; fi
-	@$(MAKE) $(MFLAGS) -C graphviz all
-	@if [ "$(HAS_PDFLATEX)" == "NO" ] ; then echo "PDFLaTeX or latexmk were not found! Please check README for further instructions" 1>&2; exit 1; fi
-	@(\
-		. $(VENV)/bin/activate ; env PYTHONWARNINGS= \
-		sphinx-build $(SPHINXEXTRA) -b latex -c $(SPHINXCONFIG) -d $(BUILDDIR)/doctrees $(RSTDIR) latex ;\
-		rm -f $(BUILDDIR)/doxygen/xml/run.stamp;\
-		echo "############################################" ;\
-		rst_anchor_check src/*.rst ;\
-		python utils/check-packages.py -s ../src -d src ;\
-		env LC_ALL=C grep -n '[^ -~]' $(RSTDIR)/*.rst ;\
-		python utils/check-styles.py -s ../src -d src ;\
-		echo "############################################" ;\
-		deactivate ;\
-	)
-	@cd latex && \
-		sed 's/\\begin{equation}//g' LAMMPS.tex > tmp.tex && \
-		mv tmp.tex LAMMPS.tex && \
-		sed 's/\\end{equation}//g' LAMMPS.tex > tmp.tex && \
-		mv tmp.tex LAMMPS.tex && \
-		sed 's/\\contentsname}{.*}}/\\contentsname}{LAMMPS Documentation}}/g' LAMMPS.tex > tmp.tex && \
-		mv tmp.tex LAMMPS.tex && \
-		$(MAKE) $(MFLAGS) && \
-		mv LAMMPS.pdf ../Manual.pdf && \
-		cd ../;
-	@rm -rf latex/_sources
-	@rm -rf latex/PDF
-	@rm -rf latex/USER
-	@cp -r src/PDF latex/PDF
-	@rm -rf latex/PDF/.[sg]*
-	@echo "Build finished. Manual.pdf is in this directory."
-
-anchor_check : $(ANCHORCHECK)
-	@(\
-		. $(VENV)/bin/activate ;\
-		rst_anchor_check src/*.rst ;\
-		deactivate ;\
-	)
-
-style_check : $(VENV)
-	@(\
-		. $(VENV)/bin/activate ;\
-		python utils/check-styles.py -s ../src -d src ;\
-		deactivate ;\
-	)
-
-package_check : $(VENV)
-	@(\
-		. $(VENV)/bin/activate ;\
-		python utils/check-packages.py -s ../src -d src ;\
-		deactivate ;\
-	)
-
-char_check :
-	@( env LC_ALL=C grep -n '[^ -~]' $(RSTDIR)/*.rst && exit 1 || : )
-
-xmlgen : doxygen/xml/index.xml
-
-doxygen/Doxyfile: doxygen/Doxyfile.in
-	sed -e 's/@LAMMPS_SOURCE_DIR@/..\/..\/src/g' $< > $@
-
-doxygen/xml/index.xml : $(VENV) doxygen/Doxyfile $(DOXYFILES)
-	@(cd doxygen; $(DOXYGEN) Doxyfile && touch xml/run.stamp)
-# ------------------------------------------
-
-$(VENV):
-	@if [ "$(HAS_BASH)" == "NO" ] ; then echo "bash was not found at $(OSHELL)! Please use: $(MAKE) SHELL=/path/to/bash" 1>&2; exit 1; fi
-	@if [ "$(HAS_PYTHON3)" == "NO" ] ; then echo "python3 was not found! Please see README for further instructions" 1>&2; exit 1; fi
-	@if [ "$(HAS_DOXYGEN)" == "NO" ] ; then echo "doxygen was not found! Please see README for further instructions" 1>&2; exit 1; fi
-	@( \
-		$(PYTHON) -m venv $(VENV); \
-		. $(VENV)/bin/activate; \
-		pip $(PIP_OPTIONS) install --upgrade pip; \
-		pip $(PIP_OPTIONS) install --upgrade wheel; \
-		pip $(PIP_OPTIONS) install -r $(BUILDDIR)/utils/requirements.txt; \
-		deactivate;\
-	)
-
-$(MATHJAX):
-	@git clone -b $(MATHJAXTAG) -c advice.detachedHead=0 --depth 1 https://github.com/mathjax/MathJax.git $@
-
-$(ANCHORCHECK): $(VENV)
-	@( \
-		. $(VENV)/bin/activate; \
-		(cd utils/converters;\
-		python setup.py develop);\
-		deactivate;\
-	)
diff --git a/doc/cmake_install.cmake b/doc/cmake_install.cmake
new file mode 100644
index 0000000000..f6307123b1
--- /dev/null
+++ b/doc/cmake_install.cmake
@@ -0,0 +1,279 @@
+# Install script for directory: /Users/ngoccuongnguyen/lammps/cmake
+
+# Set the install prefix
+if(NOT DEFINED CMAKE_INSTALL_PREFIX)
+  set(CMAKE_INSTALL_PREFIX "/Users/ngoccuongnguyen/.local")
+endif()
+string(REGEX REPLACE "/$" "" CMAKE_INSTALL_PREFIX "${CMAKE_INSTALL_PREFIX}")
+
+# Set the install configuration name.
+if(NOT DEFINED CMAKE_INSTALL_CONFIG_NAME)
+  if(BUILD_TYPE)
+    string(REGEX REPLACE "^[^A-Za-z0-9_]+" ""
+           CMAKE_INSTALL_CONFIG_NAME "${BUILD_TYPE}")
+  else()
+    set(CMAKE_INSTALL_CONFIG_NAME "RelWithDebInfo")
+  endif()
+  message(STATUS "Install configuration: \"${CMAKE_INSTALL_CONFIG_NAME}\"")
+endif()
+
+# Set the component getting installed.
+if(NOT CMAKE_INSTALL_COMPONENT)
+  if(COMPONENT)
+    message(STATUS "Install component: \"${COMPONENT}\"")
+    set(CMAKE_INSTALL_COMPONENT "${COMPONENT}")
+  else()
+    set(CMAKE_INSTALL_COMPONENT)
+  endif()
+endif()
+
+# Is this installation the result of a crosscompile?
+if(NOT DEFINED CMAKE_CROSSCOMPILING)
+  set(CMAKE_CROSSCOMPILING "FALSE")
+endif()
+
+# Set default install directory permissions.
+if(NOT DEFINED CMAKE_OBJDUMP)
+  set(CMAKE_OBJDUMP "/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/objdump")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/bin" TYPE EXECUTABLE FILES "/Users/ngoccuongnguyen/lammps/doc/lmp")
+  if(EXISTS "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/bin/lmp" AND
+     NOT IS_SYMLINK "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/bin/lmp")
+    execute_process(COMMAND /opt/local/bin/install_name_tool
+      -delete_rpath "/Users/ngoccuongnguyen/lammps/doc"
+      "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/bin/lmp")
+    if(CMAKE_INSTALL_DO_STRIP)
+      execute_process(COMMAND "/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/strip" -u -r "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/bin/lmp")
+    endif()
+  endif()
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/angle.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/atom.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/bond.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/citeme.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/comm.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/compute.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/dihedral.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/domain.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/error.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/fix.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/force.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/group.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/improper.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/input.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/info.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/kspace.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/lammps.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/lattice.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/library.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/lmppython.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/lmptype.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/memory.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/modify.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/neighbor.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/neigh_list.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/output.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/pair.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/pointers.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/region.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/timer.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/universe.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/update.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/utils.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/variable.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/include/lammps" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/src/exceptions.h")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/lib" TYPE SHARED_LIBRARY FILES "/Users/ngoccuongnguyen/lammps/doc/liblammps.0.dylib")
+  if(EXISTS "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/liblammps.0.dylib" AND
+     NOT IS_SYMLINK "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/liblammps.0.dylib")
+    if(CMAKE_INSTALL_DO_STRIP)
+      execute_process(COMMAND "/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/strip" -x "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/liblammps.0.dylib")
+    endif()
+  endif()
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/lib" TYPE SHARED_LIBRARY FILES "/Users/ngoccuongnguyen/lammps/doc/liblammps.dylib")
+  if(EXISTS "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/liblammps.dylib" AND
+     NOT IS_SYMLINK "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/liblammps.dylib")
+    if(CMAKE_INSTALL_DO_STRIP)
+      execute_process(COMMAND "/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/strip" -x "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/liblammps.dylib")
+    endif()
+  endif()
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/lib/pkgconfig" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/doc/liblammps.pc")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  if(EXISTS "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/cmake/LAMMPS/LAMMPS_Targets.cmake")
+    file(DIFFERENT EXPORT_FILE_CHANGED FILES
+         "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/cmake/LAMMPS/LAMMPS_Targets.cmake"
+         "/Users/ngoccuongnguyen/lammps/doc/CMakeFiles/Export/lib/cmake/LAMMPS/LAMMPS_Targets.cmake")
+    if(EXPORT_FILE_CHANGED)
+      file(GLOB OLD_CONFIG_FILES "$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/cmake/LAMMPS/LAMMPS_Targets-*.cmake")
+      if(OLD_CONFIG_FILES)
+        message(STATUS "Old export file \"$ENV{DESTDIR}${CMAKE_INSTALL_PREFIX}/lib/cmake/LAMMPS/LAMMPS_Targets.cmake\" will be replaced.  Removing files [${OLD_CONFIG_FILES}].")
+        file(REMOVE ${OLD_CONFIG_FILES})
+      endif()
+    endif()
+  endif()
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/lib/cmake/LAMMPS" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/doc/CMakeFiles/Export/lib/cmake/LAMMPS/LAMMPS_Targets.cmake")
+  if("${CMAKE_INSTALL_CONFIG_NAME}" MATCHES "^([Rr][Ee][Ll][Ww][Ii][Tt][Hh][Dd][Ee][Bb][Ii][Nn][Ff][Oo])$")
+    file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/lib/cmake/LAMMPS" TYPE FILE FILES "/Users/ngoccuongnguyen/lammps/doc/CMakeFiles/Export/lib/cmake/LAMMPS/LAMMPS_Targets-relwithdebinfo.cmake")
+  endif()
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/lib/cmake/LAMMPS" TYPE FILE FILES
+    "/Users/ngoccuongnguyen/lammps/doc/LAMMPSConfig.cmake"
+    "/Users/ngoccuongnguyen/lammps/doc/LAMMPSConfigVersion.cmake"
+    )
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/share/man/man1" TYPE FILE RENAME "lmp.1" FILES "/Users/ngoccuongnguyen/lammps/doc/lammps.1")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  list(APPEND CMAKE_ABSOLUTE_DESTINATION_FILES
+   "/Users/ngoccuongnguyen/.local/share/lammps/potentials")
+  if(CMAKE_WARN_ON_ABSOLUTE_INSTALL_DESTINATION)
+    message(WARNING "ABSOLUTE path INSTALL DESTINATION : ${CMAKE_ABSOLUTE_DESTINATION_FILES}")
+  endif()
+  if(CMAKE_ERROR_ON_ABSOLUTE_INSTALL_DESTINATION)
+    message(FATAL_ERROR "ABSOLUTE path INSTALL DESTINATION forbidden (by caller): ${CMAKE_ABSOLUTE_DESTINATION_FILES}")
+  endif()
+file(INSTALL DESTINATION "/Users/ngoccuongnguyen/.local/share/lammps" TYPE DIRECTORY FILES "/Users/ngoccuongnguyen/lammps/potentials")
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  file(INSTALL DESTINATION "${CMAKE_INSTALL_PREFIX}/etc/profile.d" TYPE FILE FILES
+    "/Users/ngoccuongnguyen/lammps/doc/etc/profile.d/lammps.sh"
+    "/Users/ngoccuongnguyen/lammps/doc/etc/profile.d/lammps.csh"
+    )
+endif()
+
+if("x${CMAKE_INSTALL_COMPONENT}x" STREQUAL "xUnspecifiedx" OR NOT CMAKE_INSTALL_COMPONENT)
+  execute_process(COMMAND /usr/local/Frameworks/Python.framework/Versions/3.9/bin/python3.9 setup.py build -b /Users/ngoccuongnguyen/lammps/doc/python install --prefix=/Users/ngoccuongnguyen/.local --root=$ENV{DESTDIR}/ WORKING_DIRECTORY /Users/ngoccuongnguyen/lammps/python)
+endif()
+
+if(CMAKE_INSTALL_COMPONENT)
+  set(CMAKE_INSTALL_MANIFEST "install_manifest_${CMAKE_INSTALL_COMPONENT}.txt")
+else()
+  set(CMAKE_INSTALL_MANIFEST "install_manifest.txt")
+endif()
+
+string(REPLACE ";" "\n" CMAKE_INSTALL_MANIFEST_CONTENT
+       "${CMAKE_INSTALL_MANIFEST_FILES}")
+file(WRITE "/Users/ngoccuongnguyen/lammps/doc/${CMAKE_INSTALL_MANIFEST}"
+     "${CMAKE_INSTALL_MANIFEST_CONTENT}")
diff --git a/doc/includes/lammps/angle.h b/doc/includes/lammps/angle.h
new file mode 100644
index 0000000000..79320a575f
--- /dev/null
+++ b/doc/includes/lammps/angle.h
@@ -0,0 +1,96 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_ANGLE_H
+#define LMP_ANGLE_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Angle : protected Pointers {
+  friend class ThrOMP;
+  friend class FixOMP;
+
+ public:
+  int allocated;
+  int *setflag;
+  int writedata;    // 1 if writes coeffs to data file
+  int born_matrix_enable;
+  double energy;             // accumulated energies
+  double virial[6];          // accumulated virial: xx,yy,zz,xy,xz,yz
+  double *eatom, **vatom;    // accumulated per-atom energy/virial
+  double **cvatom;           // accumulated per-atom centroid virial
+
+  int centroidstressflag;    // centroid stress compared to two-body stress
+                             // CENTROID_SAME = same as two-body stress
+                             // CENTROID_AVAIL = different and implemented
+                             // CENTROID_NOTAVAIL = different, not yet implemented
+
+  int reinitflag;    // 0 if not compatible with fix adapt
+                     // extract() method may still need to be added
+
+  // KOKKOS host/device flag and data masks
+
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+  int copymode;
+
+  Angle(class LAMMPS *);
+  ~Angle() override;
+  virtual void init();
+  virtual void compute(int, int) = 0;
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) = 0;
+  virtual void init_style(){};
+  virtual double equilibrium_angle(int) = 0;
+  virtual void write_restart(FILE *) = 0;
+  virtual void read_restart(FILE *) = 0;
+  virtual void write_restart_settings(FILE *){};
+  virtual void read_restart_settings(FILE *){};
+  virtual void write_data(FILE *) {}
+  virtual double single(int, int, int, int) = 0;
+  virtual void born_matrix(int /*atype*/, int /*at1*/, int /*at2*/, int /*at3*/, double &du,
+                           double &du2)
+  {
+    du = 0.0;
+    du2 = 0.0;
+  }
+  virtual double memory_usage();
+  virtual void *extract(const char *, int &) { return nullptr; }
+  void reinit();
+
+ protected:
+  int suffix_flag;    // suffix compatibility flag
+
+  int evflag;
+  int eflag_either, eflag_global, eflag_atom;
+  int vflag_either, vflag_global, vflag_atom, cvflag_atom;
+  int maxeatom, maxvatom, maxcvatom;
+
+  void ev_init(int eflag, int vflag, int alloc = 1)
+  {
+    if (eflag || vflag)
+      ev_setup(eflag, vflag, alloc);
+    else
+      evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom =
+          cvflag_atom = 0;
+  }
+  void ev_setup(int, int, int alloc = 1);
+  void ev_tally(int, int, int, int, int, double, double *, double *, double, double, double, double,
+                double, double);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/atom.h b/doc/includes/lammps/atom.h
new file mode 100644
index 0000000000..499e5f0d0f
--- /dev/null
+++ b/doc/includes/lammps/atom.h
@@ -0,0 +1,427 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_ATOM_H
+#define LMP_ATOM_H
+
+#include "pointers.h"
+
+#include <map>
+#include <set>
+
+namespace LAMMPS_NS {
+
+// forward declaration
+
+class AtomVec;
+
+class Atom : protected Pointers {
+ public:
+  char *atom_style;
+  AtomVec *avec;
+  enum { DOUBLE, INT, BIGINT };
+  enum { GROW = 0, RESTART = 1, BORDER = 2 };
+  enum { ATOMIC = 0, MOLECULAR = 1, TEMPLATE = 2 };
+  enum { MAP_NONE = 0, MAP_ARRAY = 1, MAP_HASH = 2, MAP_YES = 3 };
+
+  // atom counts
+
+  bigint natoms;         // total # of atoms in system, could be 0
+                         // natoms may not be current if atoms lost
+  int nlocal, nghost;    // # of owned and ghost atoms on this proc
+  int nmax;              // max # of owned+ghost in arrays on this proc
+  int tag_enable;        // 0/1 if atom ID tags are defined
+  int molecular;         // 0 = atomic, 1 = standard molecular system,
+                         // 2 = molecule template system
+  bigint nellipsoids;    // number of ellipsoids
+  bigint nlines;         // number of lines
+  bigint ntris;          // number of triangles
+  bigint nbodies;        // number of bodies
+
+  // system properties
+
+  bigint nbonds, nangles, ndihedrals, nimpropers;
+  int ntypes, nbondtypes, nangletypes, ndihedraltypes, nimpropertypes;
+  int bond_per_atom, angle_per_atom, dihedral_per_atom, improper_per_atom;
+  int extra_bond_per_atom, extra_angle_per_atom;
+  int extra_dihedral_per_atom, extra_improper_per_atom;
+
+  int firstgroup;          // store atoms in this group first, -1 if unset
+  int nfirst;              // # of atoms in first group on this proc
+  char *firstgroupname;    // group-ID to store first, null pointer if unset
+
+  // --------------------------------------------------------------------
+  // 1st customization section: customize by adding new per-atom variable
+  // per-atom vectors and arrays
+
+  tagint *tag;
+  int *type, *mask;
+  imageint *image;
+  double **x, **v, **f;
+
+  // charged and dipolar particles
+
+  double *rmass;
+  double *q, **mu;
+
+  // finite-size particles
+
+  double *radius;
+  double **omega, **angmom, **torque;
+  int *ellipsoid, *line, *tri, *body;
+  double **quat;
+
+  // molecular systems
+
+  tagint *molecule;
+  int *molindex, *molatom;
+
+  int **nspecial;      // 0,1,2 = cumulative # of 1-2,1-3,1-4 neighs
+  tagint **special;    // IDs of 1-2,1-3,1-4 neighs of each atom
+  int maxspecial;      // special[nlocal][maxspecial]
+
+  int *num_bond;
+  int **bond_type;
+  tagint **bond_atom;
+
+  int *num_angle;
+  int **angle_type;
+  tagint **angle_atom1, **angle_atom2, **angle_atom3;
+
+  int *num_dihedral;
+  int **dihedral_type;
+  tagint **dihedral_atom1, **dihedral_atom2, **dihedral_atom3, **dihedral_atom4;
+
+  int *num_improper;
+  int **improper_type;
+  tagint **improper_atom1, **improper_atom2, **improper_atom3, **improper_atom4;
+
+  // PERI package
+
+  double *vfrac, *s0;
+  double **x0;
+
+  // SPIN package
+
+  double **sp, **fm, **fm_long;
+
+  // EFF and AWPMD packages
+
+  int *spin;
+  double *eradius, *ervel, *erforce;
+  double *ervelforce;
+  double **cs, **csforce, **vforce;
+  int *etag;
+
+  // CG-DNA package
+
+  tagint *id5p;
+
+  // DPD-REACT package
+
+  double *uCond, *uMech, *uChem, *uCGnew, *uCG;
+  double *duChem;
+  double *dpdTheta;
+  int nspecies_dpd;
+
+  // MESO package
+
+  double **cc, **cc_flux;           // cc = chemical concentration
+  double *edpd_temp, *edpd_flux;    // temperature and heat flux
+  double *vest_temp;
+  double *edpd_cv;    // heat capacity
+  int cc_species;
+
+  // MESONT package
+
+  double *length;
+  int *buckling;
+  tagint **bond_nt;
+
+  // MACHDYN package
+
+  double *contact_radius;
+  double **smd_data_9;
+  double **smd_stress;
+  double *eff_plastic_strain;
+  double *eff_plastic_strain_rate;
+  double *damage;
+
+  // SPH package
+
+  double *rho, *drho, *esph, *desph, *cv;
+  double **vest;
+
+  // DIELECTRIC package
+
+  double *area, *ed, *em, *epsilon, *curvature, *q_unscaled;
+
+  // end of customization section
+  // --------------------------------------------------------------------
+
+  // --------------------------------------------------------------------
+  // 2nd customization section: customize by adding new flags
+  // identical list as Atom::set_atomflag_defaults()
+  // most are existence flags for per-atom vectors and arrays
+  // 1 if variable is used, 0 if not
+
+  int sphere_flag, ellipsoid_flag, line_flag, tri_flag, body_flag;
+  int peri_flag, electron_flag;
+  int wavepacket_flag, sph_flag;
+
+  int molecule_flag, molindex_flag, molatom_flag;
+  int q_flag, mu_flag;
+  int rmass_flag, radius_flag, omega_flag, torque_flag, angmom_flag, quat_flag;
+  int vfrac_flag, spin_flag, eradius_flag, ervel_flag, erforce_flag;
+  int cs_flag, csforce_flag, vforce_flag, ervelforce_flag, etag_flag;
+  int rho_flag, esph_flag, cv_flag, vest_flag;
+  int dpd_flag, edpd_flag, tdpd_flag;
+  int mesont_flag;
+
+  // SPIN package
+
+  int sp_flag;
+
+  // MACHDYN package
+
+  int x0_flag;
+  int smd_flag, damage_flag;
+  int contact_radius_flag, smd_data_9_flag, smd_stress_flag;
+  int eff_plastic_strain_flag, eff_plastic_strain_rate_flag;
+
+  // Peridynamics scale factor, used by dump cfg
+
+  double pdscale;
+
+  // DIELECTRIC package
+
+  int dielectric_flag;
+
+  // end of customization section
+  // --------------------------------------------------------------------
+
+  // per-atom data struct describing all per-atom vectors/arrays
+
+  struct PerAtom {
+    std::string name;
+    void *address;
+    void *address_length;
+    int *address_maxcols;
+    int datatype;
+    int cols;
+    int collength;
+    int threadflag;
+  };
+
+  std::vector<PerAtom> peratom;
+
+  // custom vectors and arrays used by fix property/atom
+
+  int **ivector, ***iarray;
+  double **dvector, ***darray;
+  int *icols, *dcols;
+  char **ivname, **dvname, **ianame, **daname;
+  int nivector, ndvector, niarray, ndarray;
+
+  // molecule templates
+  // each template can be a set of consecutive molecules
+  // each with same ID (stored in molecules)
+  // 1st molecule in template stores nset = # in set
+
+  int nmolecule;
+  class Molecule **molecules;
+
+  // extra peratom info in restart file destined for fix & diag
+
+  double **extra;
+
+  // per-type arrays
+
+  double *mass;
+  int *mass_setflag;
+
+  // callback ptrs for atom arrays managed by fix classes
+
+  int nextra_grow, nextra_restart, nextra_border;    // # of callbacks of each type
+  int *extra_grow, *extra_restart, *extra_border;    // index of fix to callback to
+  int nextra_grow_max, nextra_restart_max;           // size of callback lists
+  int nextra_border_max;
+  int nextra_store;
+
+  int map_style;                    // style of atom map: 0=none, 1=array, 2=hash
+  int map_user;                     // user requested map style:
+                                    // 0 = no request, 1=array, 2=hash, 3=yes
+  tagint map_tag_max;               // max atom ID that map() is setup for
+  std::set<tagint> *unique_tags;    // set to ensure that bodies have unique tags
+
+  // spatial sorting of atoms
+
+  int sortfreq;          // sort atoms every this many steps, 0 = off
+  bigint nextsort;       // next timestep to sort on
+  double userbinsize;    // requested sort bin size
+
+  // indices of atoms with same ID
+
+  int *sametag;    // sametag[I] = next atom with same ID, -1 if no more
+
+  // true if image flags were reset to 0 during data_atoms()
+
+  bool reset_image_flag[3];
+
+  // AtomVec factory types and map
+
+  typedef AtomVec *(*AtomVecCreator)(LAMMPS *);
+  typedef std::map<std::string, AtomVecCreator> AtomVecCreatorMap;
+  AtomVecCreatorMap *avec_map;
+
+  // --------------------------------------------------------------------
+  // functions
+
+  Atom(class LAMMPS *);
+  ~Atom() override;
+
+  void settings(class Atom *);
+  void peratom_create();
+  void add_peratom(const std::string &, void *, int, int, int threadflag = 0);
+  void add_peratom_change_columns(const std::string &, int);
+  void add_peratom_vary(const std::string &, void *, int, int *, void *, int collength = 0);
+  void create_avec(const std::string &, int, char **, int);
+  virtual AtomVec *new_avec(const std::string &, int, int &);
+
+  void init();
+  void setup();
+
+  AtomVec *style_match(const char *);
+  void modify_params(int, char **);
+  void tag_check();
+  void tag_extend();
+  int tag_consecutive();
+
+  void bonus_check();
+
+  int parse_data(const char *);
+
+  void deallocate_topology();
+
+  void data_atoms(int, char *, tagint, tagint, int, int, double *);
+  void data_vels(int, char *, tagint);
+  void data_bonds(int, char *, int *, tagint, int);
+  void data_angles(int, char *, int *, tagint, int);
+  void data_dihedrals(int, char *, int *, tagint, int);
+  void data_impropers(int, char *, int *, tagint, int);
+  void data_bonus(int, char *, AtomVec *, tagint);
+  void data_bodies(int, char *, AtomVec *, tagint);
+  void data_fix_compute_variable(int, int);
+
+  virtual void allocate_type_arrays();
+  void set_mass(const char *, int, const char *, int);
+  void set_mass(const char *, int, int, double);
+  void set_mass(const char *, int, int, char **);
+  void set_mass(double *);
+  void check_mass(const char *, int);
+
+  int radius_consistency(int, double &);
+  int shape_consistency(int, double &, double &, double &);
+
+  void add_molecule(int, char **);
+  int find_molecule(char *);
+  void add_molecule_atom(class Molecule *, int, int, tagint);
+
+  void first_reorder();
+  virtual void sort();
+
+  void add_callback(int);
+  void delete_callback(const char *, int);
+  void update_callback(int);
+
+  int find_custom(const char *, int &, int &);
+  virtual int add_custom(const char *, int, int);
+  virtual void remove_custom(int, int, int);
+
+  virtual void sync_modify(ExecutionSpace, unsigned int, unsigned int) {}
+
+  void *extract(const char *);
+  int extract_datatype(const char *);
+
+  inline int *get_map_array() { return map_array; };
+  inline int get_map_size() { return map_tag_max + 1; };
+  inline int get_max_same() { return max_same; };
+  inline int get_map_maxarray() { return map_maxarray + 1; };
+
+  // NOTE: placeholder method until KOKKOS/AtomVec is refactored
+  int memcheck(const char *) { return 1; }
+
+  double memory_usage();
+
+  // functions for global to local ID mapping
+  // map lookup function inlined for efficiency
+  // return -1 if no map defined
+
+  inline int map(tagint global)
+  {
+    if (map_style == 1)
+      return map_array[global];
+    else if (map_style == 2)
+      return map_find_hash(global);
+    else
+      return -1;
+  };
+
+  virtual void map_init(int check = 1);
+  virtual void map_clear();
+  virtual void map_set();
+  void map_one(tagint, int);
+  int map_style_set();
+  virtual void map_delete();
+  int map_find_hash(tagint);
+
+ protected:
+  // global to local ID mapping
+
+  int *map_array;      // direct map via array that holds map_tag_max
+  int map_maxarray;    // allocated size of map_array (1 larger than this)
+
+  struct HashElem {    // hashed map
+    tagint global;     // key to search on = global ID
+    int local;         // value associated with key = local index
+    int next;          // next entry in this bucket, -1 if last
+  };
+  int map_nhash;         // # of entries hash table can hold
+  int map_nused;         // # of actual entries in hash table
+  int map_free;          // ptr to 1st unused entry in hash table
+  int map_nbucket;       // # of hash buckets
+  int *map_bucket;       // ptr to 1st entry in each bucket
+  HashElem *map_hash;    // hash table
+
+  int max_same;    // allocated size of sametag
+
+  // spatial sorting of atoms
+
+  int nbins;                           // # of sorting bins
+  int nbinx, nbiny, nbinz;             // bins in each dimension
+  int maxbin;                          // max # of bins
+  int maxnext;                         // max size of next,permute
+  int *binhead;                        // 1st atom in each bin
+  int *next;                           // next atom in bin
+  int *permute;                        // permutation vector
+  double bininvx, bininvy, bininvz;    // inverse actual bin sizes
+  double bboxlo[3], bboxhi[3];         // bounding box of my sub-domain
+
+  void set_atomflag_defaults();
+  void setup_sort_bins();
+  int next_prime(int);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/bond.h b/doc/includes/lammps/bond.h
new file mode 100644
index 0000000000..f0207f1113
--- /dev/null
+++ b/doc/includes/lammps/bond.h
@@ -0,0 +1,106 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_BOND_H
+#define LMP_BOND_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Bond : protected Pointers {
+  friend class ThrOMP;
+  friend class FixOMP;
+
+ public:
+  static int instance_total;    // # of Bond classes ever instantiated
+
+  int allocated;
+  int *setflag;
+  int partial_flag;          // 1 if bond type can be set to 0 and deleted
+  int writedata;             // 1 if writes coeffs to data file
+  double energy;             // accumulated energies
+  double virial[6];          // accumulated virial: xx,yy,zz,xy,xz,yz
+  double *eatom, **vatom;    // accumulated per-atom energy/virial
+
+  int born_matrix_enable;
+
+  int comm_forward;        // size of forward communication (0 if none)
+  int comm_reverse;        // size of reverse communication (0 if none)
+  int comm_reverse_off;    // size of reverse comm even if newton off
+
+  int reinitflag;    // 0 if not compatible with fix adapt
+                     // extract() method may still need to be added
+
+  // KOKKOS host/device flag and data masks
+
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+  int copymode;
+
+  Bond(class LAMMPS *);
+  ~Bond() override;
+  virtual void init();
+  virtual void init_style() {}
+  virtual void compute(int, int) = 0;
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) = 0;
+  virtual double equilibrium_distance(int) = 0;
+  virtual void write_restart(FILE *) = 0;
+  virtual void read_restart(FILE *) = 0;
+  virtual void write_restart_settings(FILE *){};
+  virtual void read_restart_settings(FILE *){};
+  virtual void write_data(FILE *) {}
+  virtual double single(int, double, int, int, double &) = 0;
+  virtual double memory_usage();
+  virtual void *extract(const char *, int &) { return nullptr; }
+  virtual void reinit();
+
+  virtual int pack_forward_comm(int, int *, double *, int, int *) { return 0; }
+  virtual void unpack_forward_comm(int, int, double *) {}
+  virtual int pack_reverse_comm(int, int, double *) { return 0; }
+  virtual void unpack_reverse_comm(int, int *, double *) {}
+
+  virtual void born_matrix(int /*btype*/, double /*rsq*/, int /*at1*/, int /*at2*/, double &du,
+                           double &du2)
+  {
+    du = 0.0;
+    du2 = 0.0;
+  }
+
+  void write_file(int, char **);
+
+ protected:
+  int instance_me;    // which Bond class instantiation I am
+  int suffix_flag;    // suffix compatibility flag
+
+  int evflag;
+  int eflag_either, eflag_global, eflag_atom;
+  int vflag_either, vflag_global, vflag_atom;
+  int maxeatom, maxvatom;
+
+  void ev_init(int eflag, int vflag, int alloc = 1)
+  {
+    if (eflag || vflag)
+      ev_setup(eflag, vflag, alloc);
+    else
+      evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom =
+          0;
+  }
+  void ev_setup(int, int, int alloc = 1);
+  void ev_tally(int, int, int, int, double, double, double, double, double);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/citeme.h b/doc/includes/lammps/citeme.h
new file mode 100644
index 0000000000..7a8b456eb8
--- /dev/null
+++ b/doc/includes/lammps/citeme.h
@@ -0,0 +1,42 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_CITEME_H
+#define LMP_CITEME_H
+
+#include "pointers.h"
+#include <set>
+
+namespace LAMMPS_NS {
+
+class CiteMe : protected Pointers {
+ public:
+  CiteMe(class LAMMPS *, int, int, const char *);
+  ~CiteMe() override;
+  void add(const std::string &);    // register publication for output
+  void flush();                     // flush buffers to screen and logfile
+  enum { VERBOSE, TERSE };
+
+ private:
+  FILE *fp;                 // explicit citation file pointer or NULL
+  std::string citefile;     // name of the explicit citation file.
+  int screen_flag;          // determine whether verbose or terse output
+  int logfile_flag;         // determine whether verbose or terse output
+  std::string scrbuffer;    // output buffer for screen
+  std::string logbuffer;    // output buffer for logfile
+  typedef std::set<std::size_t> citeset;
+  citeset *cs;    // registered set of publications
+};
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/comm.h b/doc/includes/lammps/comm.h
new file mode 100644
index 0000000000..43fabb1b67
--- /dev/null
+++ b/doc/includes/lammps/comm.h
@@ -0,0 +1,176 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_COMM_H
+#define LMP_COMM_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Comm : protected Pointers {
+ public:
+  int style;     // comm pattern: 0 = 6-way stencil, 1 = irregular tiling
+  int layout;    // LAYOUT_UNIFORM = equal-sized bricks
+                 // LAYOUT_NONUNIFORM = logical bricks, but diff sizes via LB
+                 // LAYOUT_TILED = general tiling, due to RCB LB
+  enum { LAYOUT_UNIFORM, LAYOUT_NONUNIFORM, LAYOUT_TILED };
+  int mode;    // 0 = single cutoff, 1 = multi-collection cutoff, 2 = multiold-type cutoff
+  enum { SINGLE, MULTI, MULTIOLD };
+
+  int me, nprocs;               // proc info
+  int ghost_velocity;           // 1 if ghost atoms have velocity, 0 if not
+  double cutghost[3];           // cutoffs used for acquiring ghost atoms
+  double cutghostuser;          // user-specified ghost cutoff (mode == SINGLE)
+  double *cutusermulti;         // per collection user ghost cutoff (mode == MULTI)
+  double *cutusermultiold;      // per type user ghost cutoff (mode == MULTIOLD)
+  int ncollections;             // # of collections known by comm, used to test if # has changed
+  int ncollections_cutoff;      // # of collections stored b cutoff/multi
+  int recv_from_partition;      // recv proc layout from this partition
+  int send_to_partition;        // send my proc layout to this partition
+                                // -1 if no recv or send
+  int other_partition_style;    // 0 = recv layout dims must be multiple of
+                                //     my layout dims
+
+  int nthreads;    // OpenMP threads per MPI process
+
+  // public settings specific to layout = UNIFORM, NONUNIFORM
+
+  int procgrid[3];                     // procs assigned in each dim of 3d grid
+  int user_procgrid[3];                // user request for procs in each dim
+  int myloc[3];                        // which proc I am in each dim
+  int procneigh[3][2];                 // my 6 neighboring procs, 0/1 = left/right
+  double *xsplit, *ysplit, *zsplit;    // fractional (0-1) sub-domain sizes
+  int ***grid2proc;                    // which proc owns i,j,k loc in 3d grid
+
+  // public settings specific to layout = TILED
+
+  int rcbnew;              // 1 if just reset by rebalance, else 0
+  double mysplit[3][2];    // fractional (0-1) bounds of my sub-domain
+  double rcbcutfrac;       // fractional RCB cut by this proc
+  int rcbcutdim;           // dimension of RCB cut
+
+  // methods
+
+  Comm(class LAMMPS *);
+  ~Comm() override;
+  // NOTE: copy_arrays is called from a constructor and must not be made virtual
+  void copy_arrays(class Comm *);
+  virtual void init();
+  void modify_params(int, char **);
+
+  void set_processors(int, char **);              // set 3d processor grid attributes
+  virtual void set_proc_grid(int outflag = 1);    // setup 3d grid of procs
+
+  double get_comm_cutoff();    // determine communication cutoff
+
+  virtual void setup() = 0;                        // setup 3d comm pattern
+  virtual void forward_comm(int dummy = 0) = 0;    // forward comm of atom coords
+  virtual void reverse_comm() = 0;                 // reverse comm of forces
+  virtual void exchange() = 0;                     // move atoms to new procs
+  virtual void borders() = 0;                      // setup list of atoms to comm
+
+  // forward/reverse comm from a Pair, Bond, Fix, Compute, Dump
+
+  virtual void forward_comm(class Pair *) = 0;
+  virtual void reverse_comm(class Pair *) = 0;
+  virtual void forward_comm(class Bond *) = 0;
+  virtual void reverse_comm(class Bond *) = 0;
+  virtual void forward_comm(class Fix *, int size = 0) = 0;
+  virtual void reverse_comm(class Fix *, int size = 0) = 0;
+  virtual void reverse_comm_variable(class Fix *) = 0;
+  virtual void forward_comm(class Compute *) = 0;
+  virtual void reverse_comm(class Compute *) = 0;
+  virtual void forward_comm(class Dump *) = 0;
+  virtual void reverse_comm(class Dump *) = 0;
+
+  // forward comm of an array
+  // exchange of info on neigh stencil
+  // set processor mapping options
+
+  virtual void forward_comm_array(int, double **) = 0;
+  virtual int exchange_variable(int, double *, double *&) = 0;
+
+  // map a point to a processor, based on current decomposition
+
+  virtual void coord2proc_setup() {}
+  virtual int coord2proc(double *, int &, int &, int &);
+
+  // partition a global regular grid by proc sub-domains
+
+  void partition_grid(int, int, int, double, int &, int &, int &, int &, int &, int &);
+
+  // memory usage
+
+  virtual double memory_usage() = 0;
+
+  // non-virtual functions common to all Comm styles
+
+  void ring(int, int, void *, int, void (*)(int, char *, void *), void *, void *, int self = 1);
+  int rendezvous(int, int, char *, int, int, int *,
+                 int (*)(int, char *, int &, int *&, char *&, void *), int, char *&, int, void *,
+                 int statflag = 0);
+
+  // extract data useful to other classes
+
+  virtual void *extract(const char *, int &) { return nullptr; }
+
+ protected:
+  int bordergroup;    // only communicate this group in borders
+
+  int triclinic;                   // 0 if domain is orthog, 1 if triclinic
+  int map_style;                   // non-0 if global->local mapping is done
+  int comm_x_only, comm_f_only;    // 1 if only exchange x,f in for/rev comm
+
+  int size_forward;    // # of per-atom datums in forward comm
+  int size_reverse;    // # of datums in reverse comm
+  int size_border;     // # of datums in forward border comm
+
+  int maxforward, maxreverse;     // max # of datums in forward/reverse comm
+  int maxexchange;                // max size of one exchanged atom
+  int maxexchange_atom;           // contribution to maxexchange from AtomVec
+  int maxexchange_fix;            // static contribution to maxexchange from Fixes
+  int maxexchange_fix_dynamic;    // 1 if a fix has a dynamic contribution
+  int bufextra;                   // augment send buf size for an exchange atom
+
+  int gridflag;        // option for creating 3d grid
+  int mapflag;         // option for mapping procs to 3d grid
+  char xyz[4];         // xyz mapping of procs to 3d grid
+  char *customfile;    // file with custom proc map
+  char *outfile;       // proc grid/map output file
+
+  int otherflag;            // 1 if this partition dependent on another
+  int other_style;          // style of dependency
+  int other_procgrid[3];    // proc layout of another partition
+  int other_coregrid[3];    // core layout of another partition
+  int ncores;               // # of cores per node
+  int coregrid[3];          // 3d grid of cores within a node
+  int user_coregrid[3];     // user request for cores in each dim
+  int multi_reduce;         // 1 if multi cutoff is intra-collection cutoff
+
+  void init_exchange();
+  int rendezvous_irregular(int, char *, int, int, int *,
+                           int (*)(int, char *, int &, int *&, char *&, void *), int, char *&, int,
+                           void *, int);
+  int rendezvous_all2all(int, char *, int, int, int *,
+                         int (*)(int, char *, int &, int *&, char *&, void *), int, char *&, int,
+                         void *, int);
+  void rendezvous_stats(int, int, int, int, int, int, bigint);
+
+ public:
+  enum { MULTIPLE };
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/compute.h b/doc/includes/lammps/compute.h
new file mode 100644
index 0000000000..90b88c7d1d
--- /dev/null
+++ b/doc/includes/lammps/compute.h
@@ -0,0 +1,182 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_COMPUTE_H
+#define LMP_COMPUTE_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Compute : protected Pointers {
+  friend class Neighbor;
+
+ public:
+  // clang-format off
+  enum {
+    INVOKED_NONE    = 0,
+    INVOKED_SCALAR  = 1<<0,
+    INVOKED_VECTOR  = 1<<1,
+    INVOKED_ARRAY   = 1<<2,
+    INVOKED_PERATOM = 1<<3,
+    INVOKED_LOCAL   = 1<<4,
+  };
+  // clang-format on
+  static int instance_total;    // # of Compute classes ever instantiated
+
+  char *id, *style;
+  int igroup, groupbit;
+
+  double scalar;           // computed global scalar
+  double *vector;          // computed global vector
+  double **array;          // computed global array
+  double *vector_atom;     // computed per-atom vector
+  double **array_atom;     // computed per-atom array
+  double *vector_local;    // computed local vector
+  double **array_local;    // computed local array
+
+  int scalar_flag;                 // 0/1 if compute_scalar() function exists
+  int vector_flag;                 // 0/1 if compute_vector() function exists
+  int array_flag;                  // 0/1 if compute_array() function exists
+  int size_vector;                 // length of global vector
+  int size_array_rows;             // rows in global array
+  int size_array_cols;             // columns in global array
+  int size_vector_variable;        // 1 if vec length is unknown in advance
+  int size_array_rows_variable;    // 1 if array rows is unknown in advance
+
+  int peratom_flag;         // 0/1 if compute_peratom() function exists
+  int size_peratom_cols;    // 0 = vector, N = columns in peratom array
+
+  int local_flag;         // 0/1 if compute_local() function exists
+  int size_local_rows;    // rows in local vector or array
+  int size_local_cols;    // 0 = vector, N = columns in local array
+
+  int extscalar;    // 0/1 if global scalar is intensive/extensive
+  int extvector;    // 0/1/-1 if global vector is all int/ext/extlist
+  int *extlist;     // list of 0/1 int/ext for each vec component
+  int extarray;     // 0/1 if global array is all intensive/extensive
+
+  int tempflag;            // 1 if Compute can be used as temperature
+                           // must have both compute_scalar, compute_vector
+  int pressflag;           // 1 if Compute can be used as pressure (uses virial)
+                           // must have both compute_scalar, compute_vector
+  int pressatomflag;       // 1 if Compute calculates per-atom virial
+                           // 2 if Compute calculates per-atom centroid virial
+                           // 3 if Compute calculates both
+  int peflag;              // 1 if Compute calculates PE (uses Force energies)
+  int peatomflag;          // 1 if Compute calculates per-atom PE
+  int create_attribute;    // 1 if compute stores attributes that need
+                           // setting when a new atom is created
+
+  int tempbias;    // 0/1 if Compute temp includes self/extra bias
+
+  int timeflag;     // 1 if Compute stores list of timesteps it's called on
+  int ntime;        // # of entries in time list
+  int maxtime;      // max # of entries time list can hold
+  bigint *tlist;    // list of timesteps the Compute is called on
+
+  int invoked_flag;          // non-zero if invoked or accessed this step, 0 if not
+  bigint invoked_scalar;     // last timestep on which compute_scalar() was invoked
+  bigint invoked_vector;     // ditto for compute_vector()
+  bigint invoked_array;      // ditto for compute_array()
+  bigint invoked_peratom;    // ditto for compute_peratom()
+  bigint invoked_local;      // ditto for compute_local()
+
+  double dof;    // degrees-of-freedom for temperature
+
+  int comm_forward;           // size of forward communication (0 if none)
+  int comm_reverse;           // size of reverse communication (0 if none)
+  int dynamic_group_allow;    // 1 if can be used with dynamic group, else 0
+
+  // KOKKOS host/device flag and data masks
+
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+
+  int copymode, kokkosable;
+
+  Compute(class LAMMPS *, int, char **);
+  ~Compute() override;
+  void modify_params(int, char **);
+  virtual void reset_extra_dof();
+
+  virtual void init() = 0;
+  virtual void init_list(int, class NeighList *) {}
+  virtual void setup() {}
+  virtual double compute_scalar() { return 0.0; }
+  virtual void compute_vector() {}
+  virtual void compute_array() {}
+  virtual void compute_peratom() {}
+  virtual void compute_local() {}
+  virtual void set_arrays(int) {}
+
+  virtual int pack_forward_comm(int, int *, double *, int, int *) { return 0; }
+  virtual void unpack_forward_comm(int, int, double *) {}
+  virtual int pack_reverse_comm(int, int, double *) { return 0; }
+  virtual void unpack_reverse_comm(int, int *, double *) {}
+
+  virtual void dof_remove_pre() {}
+  virtual int dof_remove(int) { return 0; }
+  virtual void remove_bias(int, double *) {}
+  virtual void remove_bias_thr(int, double *, double *) {}
+  virtual void remove_bias_all() {}
+  virtual void reapply_bias_all() {}
+  virtual void restore_bias(int, double *) {}
+  virtual void restore_bias_thr(int, double *, double *) {}
+  virtual void restore_bias_all() {}
+
+  virtual void reset_extra_compute_fix(const char *);
+
+  virtual void lock_enable() {}
+  virtual void lock_disable() {}
+  virtual int lock_length() { return 0; }
+  virtual void lock(class Fix *, bigint, bigint) {}
+  virtual void unlock(class Fix *) {}
+
+  virtual void refresh() {}
+
+  void addstep(bigint);
+  int matchstep(bigint);
+  void clearstep();
+
+  virtual double memory_usage() { return 0.0; }
+
+  virtual void pair_setup_callback(int, int) {}
+  virtual void pair_tally_callback(int, int, int, int, double, double, double, double, double,
+                                   double)
+  {
+  }
+
+ protected:
+  int instance_me;    // which Compute class instantiation I am
+
+  double natoms_temp;    // # of atoms used for temperature calculation
+  double extra_dof;      // extra DOF for temperature computes
+  int fix_dof;           // DOF due to fixes
+  int dynamic;           // recount atoms for temperature computes
+  int dynamic_user;      // user request for temp compute to be dynamic
+
+  double vbias[3];      // stored velocity bias for one atom
+  double **vbiasall;    // stored velocity bias for all atoms
+  int maxbias;          // size of vbiasall array
+
+  inline int sbmask(int j) const { return j >> SBBITS & 3; }
+
+  // private methods
+
+  void adjust_dof_fix();
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/dihedral.h b/doc/includes/lammps/dihedral.h
new file mode 100644
index 0000000000..07e9fcba22
--- /dev/null
+++ b/doc/includes/lammps/dihedral.h
@@ -0,0 +1,90 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_DIHEDRAL_H
+#define LMP_DIHEDRAL_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Dihedral : protected Pointers {
+  friend class ThrOMP;
+  friend class FixOMP;
+
+ public:
+  int allocated;
+  int *setflag;
+  int writedata;    // 1 if writes coeffs to data file
+  int born_matrix_enable;
+  double energy;             // accumulated energy
+  double virial[6];          // accumulated virial: xx,yy,zz,xy,xz,yz
+  double *eatom, **vatom;    // accumulated per-atom energy/virial
+  double **cvatom;           // accumulated per-atom centroid virial
+
+  int centroidstressflag;    // centroid stress compared to two-body stress
+                             // CENTROID_SAME = same as two-body stress
+                             // CENTROID_AVAIL = different and implemented
+                             // CENTROID_NOTAVAIL = different, not yet implemented
+
+  // KOKKOS host/device flag and data masks
+
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+  int copymode;
+
+  Dihedral(class LAMMPS *);
+  ~Dihedral() override;
+  virtual void init();
+  virtual void init_style() {}
+  virtual void compute(int, int) = 0;
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) = 0;
+  virtual void write_restart(FILE *) = 0;
+  virtual void read_restart(FILE *) = 0;
+  virtual void write_restart_settings(FILE *){};
+  virtual void read_restart_settings(FILE *){};
+  virtual void write_data(FILE *) {}
+  virtual double memory_usage();
+  virtual void born_matrix(int /*dtype*/, int /*at1*/, int /*at2*/, int /*at3*/, int /*at4*/,
+                           double &du, double &du2)
+  {
+    du = 0.0;
+    du2 = 0.0;
+  }
+
+ protected:
+  int suffix_flag;    // suffix compatibility flag
+
+  int evflag;
+  int eflag_either, eflag_global, eflag_atom;
+  int vflag_either, vflag_global, vflag_atom, cvflag_atom;
+  int maxeatom, maxvatom, maxcvatom;
+
+  void ev_init(int eflag, int vflag, int alloc = 1)
+  {
+    if (eflag || vflag)
+      ev_setup(eflag, vflag, alloc);
+    else
+      evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom =
+          cvflag_atom = 0;
+  }
+  void ev_setup(int, int, int alloc = 1);
+  void ev_tally(int, int, int, int, int, int, double, double *, double *, double *, double, double,
+                double, double, double, double, double, double, double);
+  void problem(const char *, int, int, int, int, int);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/domain.h b/doc/includes/lammps/domain.h
new file mode 100644
index 0000000000..649849e961
--- /dev/null
+++ b/doc/includes/lammps/domain.h
@@ -0,0 +1,181 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_DOMAIN_H
+#define LMP_DOMAIN_H
+
+#include "pointers.h"
+
+#include <cmath>
+#include <map>
+#include <unordered_set>
+#include <vector>
+
+namespace LAMMPS_NS {
+class Region;
+
+class Domain : protected Pointers {
+ public:
+  int box_exist;                          // 0 = not yet created, 1 = exists
+  int dimension;                          // 2 = 2d, 3 = 3d
+  int nonperiodic;                        // 0 = periodic in all 3 dims
+                                          // 1 = periodic or fixed in all 6
+                                          // 2 = shrink-wrap in any of 6
+  int xperiodic, yperiodic, zperiodic;    // 0 = non-periodic, 1 = periodic
+  int periodicity[3];                     // xyz periodicity as array
+
+  int boundary[3][2];    // settings for 6 boundaries
+                         // 0 = periodic
+                         // 1 = fixed non-periodic
+                         // 2 = shrink-wrap non-periodic
+                         // 3 = shrink-wrap non-per w/ min
+
+  int triclinic;    // 0 = orthog box, 1 = triclinic
+  int tiltsmall;    // 1 if limit tilt, else 0
+
+  // orthogonal box
+
+  double xprd, yprd, zprd;                   // global box dimensions
+  double xprd_half, yprd_half, zprd_half;    // half dimensions
+  double prd[3];                             // array form of dimensions
+  double prd_half[3];                        // array form of half dimensions
+
+  // triclinic box
+  // xyzprd,xyzprd_half and prd,prd_half = same as if untilted
+
+  double prd_lamda[3];         // lamda box = (1,1,1)
+  double prd_half_lamda[3];    // lamda half box = (0.5,0.5,0.5)
+
+  // orthogonal box global bounds
+
+  double boxlo[3], boxhi[3];
+
+  // triclinic box
+  // boxlo/hi = same as if untilted
+
+  double boxlo_lamda[3], boxhi_lamda[3];    // lamda box = (0,1)
+  double boxlo_bound[3], boxhi_bound[3];    // bounding box of tilted domain
+  double corners[8][3];                     // 8 corner points
+
+  // orthogonal box & triclinic box
+
+  double minxlo, minxhi;    // minimum size of global box
+  double minylo, minyhi;    // when shrink-wrapping
+  double minzlo, minzhi;    // tri only possible for non-skew dims
+
+  // orthogonal box
+
+  double sublo[3], subhi[3];    // sub-box bounds on this proc
+
+  // triclinic box
+  // sublo/hi = undefined
+
+  double sublo_lamda[3], subhi_lamda[3];    // bounds of subbox in lamda
+
+  // triclinic box
+
+  double xy, xz, yz;                // 3 tilt factors
+  double h[6], h_inv[6];            // shape matrix in Voigt ordering
+                                    // Voigt = xx,yy,zz,yz,xz,xy
+  double h_rate[6], h_ratelo[3];    // rate of box size/shape change
+
+  int box_change;           // 1 if any of next 3 flags are set, else 0
+  int box_change_size;      // 1 if box size changes, 0 if not
+  int box_change_shape;     // 1 if box shape changes, 0 if not
+  int box_change_domain;    // 1 if proc sub-domains change, 0 if not
+
+  int deform_flag;        // 1 if fix deform exist, else 0
+  int deform_vremap;      // 1 if fix deform remaps v, else 0
+  int deform_groupbit;    // atom group to perform v remap for
+
+  class Lattice *lattice;    // user-defined lattice
+
+  int copymode;
+  enum { NO_REMAP, X_REMAP, V_REMAP };
+
+  typedef Region *(*RegionCreator)(LAMMPS *, int, char **);
+  typedef std::map<std::string, RegionCreator> RegionCreatorMap;
+  RegionCreatorMap *region_map;
+
+  Domain(class LAMMPS *);
+  ~Domain() override;
+  virtual void init();
+  void set_initial_box(int expandflag = 1);
+  virtual void set_global_box();
+  virtual void set_lamda_box();
+  virtual void set_local_box();
+  virtual void reset_box();
+  virtual void pbc();
+  void image_check();
+  void box_too_small_check();
+  void subbox_too_small_check(double);
+  void minimum_image(double &, double &, double &);
+  void minimum_image(double *);
+  void minimum_image_once(double *);
+  int closest_image(int, int);
+  int closest_image(const double *const, int);
+  void closest_image(const double *const, const double *const, double *const);
+  void remap(double *, imageint &);
+  void remap(double *);
+  void remap_near(double *, double *);
+  void unmap(double *, imageint);
+  void unmap(const double *, imageint, double *);
+  void image_flip(int, int, int);
+  int ownatom(int, double *, imageint *, int);
+
+  void set_lattice(int, char **);
+  void add_region(int, char **);
+  void delete_region(Region *);
+  void delete_region(const std::string &);
+  Region *get_region_by_id(const std::string &) const;
+  const std::vector<Region *> get_region_by_style(const std::string &) const;
+  const std::vector<Region *> get_region_list();
+  void set_boundary(int, char **, int);
+  void set_box(int, char **);
+  void print_box(const std::string &);
+  void boundary_string(char *);
+
+  virtual void lamda2x(int);
+  virtual void x2lamda(int);
+  virtual void lamda2x(double *, double *);
+  virtual void x2lamda(double *, double *);
+  int inside(double *);
+  int inside_nonperiodic(double *);
+  void x2lamda(double *, double *, double *, double *);
+  void bbox(double *, double *, double *, double *);
+  void box_corners();
+  void subbox_corners();
+  void lamda_box_corners(double *, double *);
+
+  // minimum image convention check
+  // return 1 if any distance > 1/2 of box size
+  // indicates a special neighbor is actually not in a bond,
+  //   but is a far-away image that should be treated as an unbonded neighbor
+  // inline since called from neighbor build inner loop
+
+  inline int minimum_image_check(double dx, double dy, double dz)
+  {
+    if (xperiodic && fabs(dx) > xprd_half) return 1;
+    if (yperiodic && fabs(dy) > yprd_half) return 1;
+    if (zperiodic && fabs(dz) > zprd_half) return 1;
+    return 0;
+  }
+
+ protected:
+  double small[3];    // fractions of box lengths
+  std::unordered_set<Region *> regions;
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/error.h b/doc/includes/lammps/error.h
new file mode 100644
index 0000000000..65c4b6e841
--- /dev/null
+++ b/doc/includes/lammps/error.h
@@ -0,0 +1,89 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_ERROR_H
+#define LMP_ERROR_H
+
+#include "pointers.h"
+
+#ifdef LAMMPS_EXCEPTIONS
+#include "exceptions.h"
+#endif
+
+namespace LAMMPS_NS {
+
+class Error : protected Pointers {
+ public:
+  Error(class LAMMPS *);
+
+  [[noreturn]] void universe_all(const std::string &, int, const std::string &);
+  [[noreturn]] void universe_one(const std::string &, int, const std::string &);
+  void universe_warn(const std::string &, int, const std::string &);
+
+  [[noreturn]] void all(const std::string &, int, const std::string &);
+  template <typename S, typename... Args>
+  void all(const std::string &file, int line, const S &format, Args &&...args)
+  {
+    _all(file, line, format, fmt::make_args_checked<Args...>(format, args...));
+  }
+
+  [[noreturn]] void one(const std::string &, int, const std::string &);
+  template <typename S, typename... Args>
+  void one(const std::string &file, int line, const S &format, Args &&...args)
+  {
+    _one(file, line, format, fmt::make_args_checked<Args...>(format, args...));
+  }
+
+  void warning(const std::string &, int, const std::string &);
+  template <typename S, typename... Args>
+  void warning(const std::string &file, int line, const S &format, Args &&...args)
+  {
+    _warning(file, line, format, fmt::make_args_checked<Args...>(format, args...));
+  }
+
+  void message(const std::string &, int, const std::string &);
+  template <typename S, typename... Args>
+  void message(const std::string &file, int line, const S &format, Args &&...args)
+  {
+    _message(file, line, format, fmt::make_args_checked<Args...>(format, args...));
+  }
+  [[noreturn]] void done(int = 0);    // 1 would be fully backwards compatible
+
+  int get_numwarn() const { return numwarn; }
+  int get_maxwarn() const { return maxwarn; }
+  void set_numwarn(int val) { numwarn = val; }
+  void set_maxwarn(int val) { maxwarn = val; }
+  void set_allwarn(int val) { allwarn = val; }
+
+#ifdef LAMMPS_EXCEPTIONS
+  std::string get_last_error() const;
+  ErrorType get_last_error_type() const;
+  void set_last_error(const std::string &msg, ErrorType type = ERROR_NORMAL);
+
+ private:
+  std::string last_error_message;
+  ErrorType last_error_type;
+#endif
+
+ private:
+  int numwarn, maxwarn, allwarn;
+  // internal versions that accept explicit fmtlib arguments
+  [[noreturn]] void _all(const std::string &, int, fmt::string_view, fmt::format_args args);
+  [[noreturn]] void _one(const std::string &, int, fmt::string_view, fmt::format_args args);
+  void _warning(const std::string &, int, fmt::string_view, fmt::format_args args);
+  void _message(const std::string &, int, fmt::string_view, fmt::format_args args);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/exceptions.h b/doc/includes/lammps/exceptions.h
new file mode 100644
index 0000000000..f10f4ecf89
--- /dev/null
+++ b/doc/includes/lammps/exceptions.h
@@ -0,0 +1,46 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_EXCEPTIONS_H
+#define LMP_EXCEPTIONS_H
+
+#include <exception>
+#include <mpi.h>
+#include <string>
+
+namespace LAMMPS_NS {
+
+class LAMMPSException : public std::exception {
+ public:
+  std::string message;
+
+  LAMMPSException(const std::string &msg) : message(msg) {}
+
+  const char *what() const noexcept override { return message.c_str(); }
+};
+
+class LAMMPSAbortException : public LAMMPSException {
+ public:
+  MPI_Comm universe;
+
+  LAMMPSAbortException(const std::string &msg, MPI_Comm _universe) :
+      LAMMPSException(msg), universe(_universe)
+  {
+  }
+};
+
+enum ErrorType { ERROR_NONE = 0, ERROR_NORMAL = 1, ERROR_ABORT = 2 };
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/fix.h b/doc/includes/lammps/fix.h
new file mode 100644
index 0000000000..41a30d2d60
--- /dev/null
+++ b/doc/includes/lammps/fix.h
@@ -0,0 +1,319 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_FIX_H
+#define LMP_FIX_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Fix : protected Pointers {
+  friend class Neighbor;
+
+ public:
+  static int instance_total;    // # of Fix classes ever instantiated
+
+  char *id, *style;
+  int igroup, groupbit;
+
+  int restart_global;      // 1 if Fix saves global state, 0 if not
+  int restart_peratom;     // 1 if Fix saves peratom state, 0 if not
+  int restart_file;        // 1 if Fix writes own restart file, 0 if not
+  int force_reneighbor;    // 1 if Fix forces reneighboring, 0 if not
+
+  int box_change;    // >0 if Fix changes box size, shape, or sub-domains, 0 if not
+  // clang-format off
+  enum {
+    NO_BOX_CHANGE     = 0,
+    BOX_CHANGE_ANY    = 1 << 0,
+    BOX_CHANGE_DOMAIN = 1 << 1,
+    BOX_CHANGE_X      = 1 << 2,
+    BOX_CHANGE_Y      = 1 << 3,
+    BOX_CHANGE_Z      = 1 << 4,
+    BOX_CHANGE_YZ     = 1 << 5,
+    BOX_CHANGE_XZ     = 1 << 6,
+    BOX_CHANGE_XY     = 1 << 7,
+    BOX_CHANGE_SIZE   = BOX_CHANGE_X  | BOX_CHANGE_Y  | BOX_CHANGE_Z,
+    BOX_CHANGE_SHAPE  = BOX_CHANGE_YZ | BOX_CHANGE_XZ | BOX_CHANGE_XY
+  };
+  // clang-format on
+
+  bigint next_reneighbor;      // next timestep to force a reneighboring
+  int nevery;                  // how often to call an end_of_step fix
+  int thermo_energy;           // 1 if fix_modify energy enabled, 0 if not
+  int thermo_virial;           // 1 if fix_modify virial enabled, 0 if not
+  int energy_global_flag;      // 1 if contributes to global eng
+  int energy_peratom_flag;     // 1 if contributes to peratom eng
+  int virial_global_flag;      // 1 if contributes to global virial
+  int virial_peratom_flag;     // 1 if contributes to peratom virial
+  int ecouple_flag;            // 1 if thermostat fix outputs cumulative
+                               //      reservoir energy via compute_scalar()
+  int time_integrate;          // 1 if performs time integration, 0 if no
+  int rigid_flag;              // 1 if integrates rigid bodies, 0 if not
+  int no_change_box;           // 1 if cannot swap ortho <-> triclinic
+  int time_depend;             // 1 if requires continuous timestepping
+  int create_attribute;        // 1 if fix stores attributes that need
+                               //      setting when a new atom is created
+  int restart_pbc;             // 1 if fix moves atoms (except integrate)
+                               //      so write_restart must remap to PBC
+  int wd_header;               // # of header values fix writes to data file
+  int wd_section;              // # of sections fix writes to data file
+  int dynamic_group_allow;     // 1 if can be used with dynamic group, else 0
+  int dof_flag;                // 1 if has dof() method (not min_dof())
+  int special_alter_flag;      // 1 if has special_alter() meth for spec lists
+  int enforce2d_flag;          // 1 if has enforce2d method
+  int respa_level_support;     // 1 if fix supports fix_modify respa
+  int respa_level;             // which respa level to apply fix (1-Nrespa)
+  int maxexchange;             // max # of per-atom values for Comm::exchange()
+  int maxexchange_dynamic;     // 1 if fix sets maxexchange dynamically
+  int pre_exchange_migrate;    // 1 if fix migrates atoms in pre_exchange()
+  int stores_ids;              // 1 if fix stores atom IDs
+
+  int scalar_flag;                 // 0/1 if compute_scalar() function exists
+  int vector_flag;                 // 0/1 if compute_vector() function exists
+  int array_flag;                  // 0/1 if compute_array() function exists
+  int size_vector;                 // length of global vector
+  int size_array_rows;             // rows in global array
+  int size_array_cols;             // columns in global array
+  int size_vector_variable;        // 1 if vec length is unknown in advance
+  int size_array_rows_variable;    // 1 if array rows is unknown in advance
+  int global_freq;                 // frequency s/v data is available at
+
+  int peratom_flag;         // 0/1 if per-atom data is stored
+  int size_peratom_cols;    // 0 = vector, N = columns in peratom array
+  int peratom_freq;         // frequency per-atom data is available at
+
+  int local_flag;         // 0/1 if local data is stored
+  int size_local_rows;    // rows in local vector or array
+  int size_local_cols;    // 0 = vector, N = columns in local array
+  int local_freq;         // frequency local data is available at
+
+  int extscalar;    // 0/1 if global scalar is intensive/extensive
+  int extvector;    // 0/1/-1 if global vector is all int/ext/extlist
+  int *extlist;     // list of 0/1 int/ext for each vec component
+  int extarray;     // 0/1 if global array is intensive/extensive
+
+  double *vector_atom;     // computed per-atom vector
+  double **array_atom;     // computed per-atom array
+  double *vector_local;    // computed local vector
+  double **array_local;    // computed local array
+
+  int comm_forward;    // size of forward communication (0 if none)
+  int comm_reverse;    // size of reverse communication (0 if none)
+  int comm_border;     // size of border communication (0 if none)
+
+  double virial[6];          // virial for this timestep
+  double *eatom, **vatom;    // per-atom energy/virial for this timestep
+  double **cvatom;           // per-atom centroid virial for this timestep
+
+  int centroidstressflag;    // centroid stress compared to two-body stress
+                             // CENTROID_SAME = same as two-body stress
+                             // CENTROID_AVAIL = different and implemented
+                             // CENTROID_NOTAVAIL = different, not yet implemented
+
+  int restart_reset;    // 1 if restart just re-initialized fix
+
+  // KOKKOS host/device flag and data masks
+
+  int kokkosable;             // 1 if Kokkos fix
+  int forward_comm_device;    // 1 if forward comm on Device
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+
+  Fix(class LAMMPS *, int, char **);
+  ~Fix() override;
+  void modify_params(int, char **);
+
+  virtual int setmask() = 0;
+
+  virtual void post_constructor() {}
+  virtual void init() {}
+  virtual void init_list(int, class NeighList *) {}
+  virtual void setup(int) {}
+  virtual void setup_pre_exchange() {}
+  virtual void setup_pre_neighbor() {}
+  virtual void setup_post_neighbor() {}
+  virtual void setup_pre_force(int) {}
+  virtual void setup_pre_reverse(int, int) {}
+  virtual void min_setup(int) {}
+  virtual void initial_integrate(int) {}
+  virtual void post_integrate() {}
+  virtual void pre_exchange() {}
+  virtual void pre_neighbor() {}
+  virtual void post_neighbor() {}
+  virtual void pre_force(int) {}
+  virtual void pre_reverse(int, int) {}
+  virtual void post_force(int) {}
+  virtual void final_integrate() {}
+  virtual void end_of_step() {}
+  virtual void post_run() {}
+  virtual void write_restart(FILE *) {}
+  virtual void write_restart_file(const char *) {}
+  virtual void restart(char *) {}
+
+  virtual void grow_arrays(int) {}
+  virtual void copy_arrays(int, int, int) {}
+  virtual void set_arrays(int) {}
+  virtual void update_arrays(int, int) {}
+  virtual void set_molecule(int, tagint, int, double *, double *, double *);
+  virtual void clear_bonus() {}
+
+  virtual int pack_border(int, int *, double *) { return 0; }
+  virtual int unpack_border(int, int, double *) { return 0; }
+  virtual int pack_exchange(int, double *) { return 0; }
+  virtual int unpack_exchange(int, double *) { return 0; }
+  virtual int pack_restart(int, double *) { return 0; }
+  virtual void unpack_restart(int, int) {}
+  virtual int size_restart(int) { return 0; }
+  virtual int maxsize_restart() { return 0; }
+
+  virtual void setup_pre_force_respa(int, int) {}
+  virtual void initial_integrate_respa(int, int, int) {}
+  virtual void post_integrate_respa(int, int) {}
+  virtual void pre_force_respa(int, int, int) {}
+  virtual void post_force_respa(int, int, int) {}
+  virtual void final_integrate_respa(int, int) {}
+
+  virtual void min_pre_exchange() {}
+  virtual void min_pre_neighbor() {}
+  virtual void min_post_neighbor() {}
+  virtual void min_pre_force(int) {}
+  virtual void min_pre_reverse(int, int) {}
+  virtual void min_post_force(int) {}
+
+  virtual double min_energy(double *) { return 0.0; }
+  virtual void min_store() {}
+  virtual void min_clearstore() {}
+  virtual void min_pushstore() {}
+  virtual void min_popstore() {}
+  virtual int min_reset_ref() { return 0; }
+  virtual void min_step(double, double *) {}
+  virtual double max_alpha(double *) { return 0.0; }
+  virtual int min_dof() { return 0; }
+
+  virtual int pack_forward_comm(int, int *, double *, int, int *) { return 0; }
+  virtual void unpack_forward_comm(int, int, double *) {}
+  virtual int pack_reverse_comm_size(int, int) { return 0; }
+  virtual int pack_reverse_comm(int, int, double *) { return 0; }
+  virtual void unpack_reverse_comm(int, int *, double *) {}
+
+  virtual void pack_forward_grid(int, void *, int, int *){};
+  virtual void unpack_forward_grid(int, void *, int, int *){};
+  virtual void pack_reverse_grid(int, void *, int, int *){};
+  virtual void unpack_reverse_grid(int, void *, int, int *){};
+  virtual void pack_gather_grid(int, void *){};
+  virtual void unpack_gather_grid(int, void *, void *, int, int, int, int, int, int){};
+
+  virtual double compute_scalar() { return 0.0; }
+  virtual double compute_vector(int) { return 0.0; }
+  virtual double compute_array(int, int) { return 0.0; }
+
+  virtual int dof(int) { return 0; }
+  virtual void deform(int) {}
+  virtual void reset_target(double) {}
+  virtual void reset_dt() {}
+  virtual void enforce2d() {}
+
+  virtual void read_data_header(char *) {}
+  virtual void read_data_section(char *, int, char *, tagint) {}
+  virtual bigint read_data_skip_lines(char *) { return 0; }
+
+  virtual void write_data_header(FILE *, int) {}
+  virtual void write_data_section_size(int, int &, int &) {}
+  virtual void write_data_section_pack(int, double **) {}
+  virtual void write_data_section_keyword(int, FILE *) {}
+  virtual void write_data_section(int, FILE *, int, double **, int) {}
+
+  virtual void zero_momentum() {}
+  virtual void zero_rotation() {}
+
+  virtual void rebuild_special() {}
+
+  virtual int image(int *&, double **&) { return 0; }
+
+  virtual int modify_param(int, char **) { return 0; }
+  virtual void *extract(const char *, int &) { return nullptr; }
+
+  virtual double memory_usage() { return 0.0; }
+
+ protected:
+  int instance_me;    // which Fix class instantiation I am
+
+  int evflag;
+  int eflag_either, eflag_global, eflag_atom;
+  int vflag_either, vflag_global, vflag_atom, cvflag_atom;
+  int maxeatom, maxvatom, maxcvatom;
+
+  int copymode;    // if set, do not deallocate during destruction
+                   // required when classes are used as functors by Kokkos
+
+  int dynamic;    // recount atoms for temperature computes
+
+  void ev_init(int eflag, int vflag)
+  {
+    if ((eflag && thermo_energy) || (vflag && thermo_virial))
+      ev_setup(eflag, vflag);
+    else
+      evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom =
+          cvflag_atom = 0;
+  }
+  void ev_setup(int, int);
+  void ev_tally(int, int *, double, double, double *);
+
+  void v_init(int vflag)
+  {
+    if (vflag && thermo_virial)
+      v_setup(vflag);
+    else
+      evflag = vflag_either = vflag_global = vflag_atom = cvflag_atom = 0;
+  }
+  void v_setup(int);
+  void v_tally(int, int *, double, double *);
+  void v_tally(int, int *, double, double *, int, int, int[][2], double *, double[][3]);
+  void v_tally(int, int *, double, double *, double[][3], double[][3], double[]);
+  void v_tally(int, double *);
+  void v_tally(int, int, double);
+};
+
+namespace FixConst {
+  enum {
+    INITIAL_INTEGRATE = 1 << 0,
+    POST_INTEGRATE = 1 << 1,
+    PRE_EXCHANGE = 1 << 2,
+    PRE_NEIGHBOR = 1 << 3,
+    POST_NEIGHBOR = 1 << 4,
+    PRE_FORCE = 1 << 5,
+    PRE_REVERSE = 1 << 6,
+    POST_FORCE = 1 << 7,
+    FINAL_INTEGRATE = 1 << 8,
+    END_OF_STEP = 1 << 9,
+    POST_RUN = 1 << 10,
+    INITIAL_INTEGRATE_RESPA = 1 << 11,
+    POST_INTEGRATE_RESPA = 1 << 12,
+    PRE_FORCE_RESPA = 1 << 13,
+    POST_FORCE_RESPA = 1 << 14,
+    FINAL_INTEGRATE_RESPA = 1 << 15,
+    MIN_PRE_EXCHANGE = 1 << 16,
+    MIN_PRE_NEIGHBOR = 1 << 17,
+    MIN_POST_NEIGHBOR = 1 << 18,
+    MIN_PRE_FORCE = 1 << 19,
+    MIN_PRE_REVERSE = 1 << 20,
+    MIN_POST_FORCE = 1 << 21,
+    MIN_ENERGY = 1 << 22
+  };
+}
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/force.h b/doc/includes/lammps/force.h
new file mode 100644
index 0000000000..d196555304
--- /dev/null
+++ b/doc/includes/lammps/force.h
@@ -0,0 +1,160 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_FORCE_H
+#define LMP_FORCE_H
+
+#include "pointers.h"
+
+#include <map>
+
+namespace LAMMPS_NS {
+class Angle;
+class Bond;
+class Dihedral;
+class Improper;
+class KSpace;
+class Pair;
+
+enum { ENERGY_NONE = 0x00, ENERGY_GLOBAL = 0x01, ENERGY_ATOM = 0x02 };
+
+// clang-format off
+enum {
+  VIRIAL_NONE     = 0x00,
+  VIRIAL_PAIR     = 0x01,
+  VIRIAL_FDOTR    = 0x02,
+  VIRIAL_ATOM     = 0x04,
+  VIRIAL_CENTROID = 0x08
+};
+// clang-format on
+
+enum { CENTROID_SAME = 0, CENTROID_AVAIL = 1, CENTROID_NOTAVAIL = 2 };
+
+class Force : protected Pointers {
+ public:
+  double boltz;          // Boltzmann constant (eng/degree-K)
+  double hplanck;        // Planck's constant (energy-time)
+  double mvv2e;          // conversion of mv^2 to energy
+  double ftm2v;          // conversion of ft/m to velocity
+  double mv2d;           // conversion of mass/volume to density
+  double nktv2p;         // conversion of NkT/V to pressure
+  double qqr2e;          // conversion of q^2/r to energy
+  double qe2f;           // conversion of qE to force
+  double vxmu2f;         // conversion of vx dynamic-visc to force
+  double xxt2kmu;        // conversion of xx/t to kinematic-visc
+  double dielectric;     // dielectric constant
+  double qqrd2e;         // q^2/r to energy w/ dielectric constant
+  double e_mass;         // electron mass
+  double hhmrr2e;        // conversion of (hbar)^2/(mr^2) to energy
+  double mvh2r;          // conversion of mv/hbar to distance
+                         // hbar = h/(2*pi)
+  double angstrom;       // 1 angstrom in native units
+  double femtosecond;    // 1 femtosecond in native units
+  double qelectron;      // 1 electron charge abs() in native units
+
+  double qqr2e_lammps_real;    // different versions of this constant
+  double qqr2e_charmm_real;    // used by new CHARMM pair styles
+
+  int newton, newton_pair, newton_bond;    // Newton's 3rd law settings
+
+  Pair *pair;
+  char *pair_style;
+  char *pair_restart;
+
+  Bond *bond;
+  char *bond_style;
+
+  Angle *angle;
+  char *angle_style;
+
+  Dihedral *dihedral;
+  char *dihedral_style;
+
+  Improper *improper;
+  char *improper_style;
+
+  KSpace *kspace;
+  char *kspace_style;
+
+  typedef Pair *(*PairCreator)(LAMMPS *);
+  typedef Bond *(*BondCreator)(LAMMPS *);
+  typedef Angle *(*AngleCreator)(LAMMPS *);
+  typedef Dihedral *(*DihedralCreator)(LAMMPS *);
+  typedef Improper *(*ImproperCreator)(LAMMPS *);
+  typedef KSpace *(*KSpaceCreator)(LAMMPS *);
+
+  typedef std::map<std::string, PairCreator> PairCreatorMap;
+  typedef std::map<std::string, BondCreator> BondCreatorMap;
+  typedef std::map<std::string, AngleCreator> AngleCreatorMap;
+  typedef std::map<std::string, DihedralCreator> DihedralCreatorMap;
+  typedef std::map<std::string, ImproperCreator> ImproperCreatorMap;
+  typedef std::map<std::string, KSpaceCreator> KSpaceCreatorMap;
+
+  PairCreatorMap *pair_map;
+  BondCreatorMap *bond_map;
+  AngleCreatorMap *angle_map;
+  DihedralCreatorMap *dihedral_map;
+  ImproperCreatorMap *improper_map;
+  KSpaceCreatorMap *kspace_map;
+
+  // index [0] is not used in these arrays
+  double special_lj[4];      // 1-2, 1-3, 1-4 prefactors for LJ
+  double special_coul[4];    // 1-2, 1-3, 1-4 prefactors for Coulombics
+  int special_angle;         // 0 if defined angles are ignored
+                             // 1 if only weight 1,3 atoms if in an angle
+  int special_dihedral;      // 0 if defined dihedrals are ignored
+                             // 1 if only weight 1,4 atoms if in a dihedral
+  int special_extra;         // extra space for added bonds
+
+  Force(class LAMMPS *);
+  ~Force() override;
+  void init();
+  void setup();
+
+  void create_pair(const std::string &, int);
+  Pair *new_pair(const std::string &, int, int &);
+  Pair *pair_match(const std::string &, int, int nsub = 0);
+  char *pair_match_ptr(Pair *);
+
+  void create_bond(const std::string &, int);
+  Bond *new_bond(const std::string &, int, int &);
+  Bond *bond_match(const std::string &);
+
+  void create_angle(const std::string &, int);
+  Angle *new_angle(const std::string &, int, int &);
+  Angle *angle_match(const std::string &);
+
+  void create_dihedral(const std::string &, int);
+  Dihedral *new_dihedral(const std::string &, int, int &);
+  Dihedral *dihedral_match(const std::string &);
+
+  void create_improper(const std::string &, int);
+  Improper *new_improper(const std::string &, int, int &);
+  Improper *improper_match(const std::string &);
+
+  void create_kspace(const std::string &, int);
+  KSpace *new_kspace(const std::string &, int, int &);
+  KSpace *kspace_match(const std::string &, int);
+
+  char *store_style(const std::string &, int);
+  void set_special(int, char **);
+
+  double memory_usage();
+
+ private:
+  void create_factories();
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/group.h b/doc/includes/lammps/group.h
new file mode 100644
index 0000000000..ac6a0736ac
--- /dev/null
+++ b/doc/includes/lammps/group.h
@@ -0,0 +1,84 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_GROUP_H
+#define LMP_GROUP_H
+
+#include "pointers.h"
+
+#include <map>
+
+namespace LAMMPS_NS {
+class Region;
+
+class Group : protected Pointers {
+ public:
+  int ngroup;          // # of defined groups
+  char **names;        // name of each group
+  int *bitmask;        // one-bit mask for each group
+  int *inversemask;    // inverse mask for each group
+  int *dynamic;        // 1 if dynamic, 0 if not
+
+  Group(class LAMMPS *);
+  ~Group() override;
+  void assign(int, char **);                  // assign atoms to a group
+  void assign(const std::string &);           // convenience function
+  void create(const std::string &, int *);    // add flagged atoms to a group
+  int find(const std::string &);              // lookup name in list of groups
+  int find_or_create(const char *);           // lookup name or create new group
+  void write_restart(FILE *);
+  void read_restart(FILE *);
+
+  bigint count_all();             // count atoms in group all
+  bigint count(int);              // count atoms in group
+  bigint count(int, Region *);    // count atoms in group & region
+  double mass(int);               // total mass of atoms in group
+  double mass(int, Region *);
+  double charge(int);    // total charge of atoms in group
+  double charge(int, Region *);
+  void bounds(int, double *);    // bounds of atoms in group
+  void bounds(int, double *, Region *);
+  void xcm(int, double, double *);    // center-of-mass coords of group
+  void xcm(int, double, double *, Region *);
+  void vcm(int, double, double *);    // center-of-mass velocity of group
+  void vcm(int, double, double *, Region *);
+  void fcm(int, double *);    // total force on group
+  void fcm(int, double *, Region *);
+  double ke(int);    // kinetic energy of group
+  double ke(int, Region *);
+  double gyration(int, double, double *);    // radius-of-gyration of group
+  double gyration(int, double, double *, Region *);
+  void angmom(int, double *, double *);    // angular momentum of group
+  void angmom(int, double *, double *, Region *);
+  void torque(int, double *, double *);    // torque on group
+  void torque(int, double *, double *, Region *);
+  void inertia(int, double *, double[3][3]);    // inertia tensor
+  void inertia(int, double *, double[3][3], Region *);
+  void omega(double *, double[3][3], double *);    // angular velocity
+
+ private:
+  int me;
+  std::map<tagint, int> *hash;
+
+  int find_unused();
+  void add_molecules(int, int);
+
+  // callback functions for ring communication
+
+  static void molring(int, char *, void *);
+  int molbit;
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/improper.h b/doc/includes/lammps/improper.h
new file mode 100644
index 0000000000..2013c7e548
--- /dev/null
+++ b/doc/includes/lammps/improper.h
@@ -0,0 +1,90 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_IMPROPER_H
+#define LMP_IMPROPER_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Improper : protected Pointers {
+  friend class ThrOMP;
+  friend class FixOMP;
+
+ public:
+  int allocated;
+  int *setflag;
+  int writedata;    // 1 if writes coeffs to data file
+  int born_matrix_enable;
+  double energy;             // accumulated energies
+  double virial[6];          // accumulated virial: xx,yy,zz,xy,xz,yz
+  double *eatom, **vatom;    // accumulated per-atom energy/virial
+  double **cvatom;           // accumulated per-atom centroid virial
+
+  int centroidstressflag;    // centroid stress compared to two-body stress
+                             // CENTROID_SAME = same as two-body stress
+                             // CENTROID_AVAIL = different and implemented
+                             // CENTROID_NOTAVAIL = different, not yet implemented
+
+  // KOKKOS host/device flag and data masks
+
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+  int copymode;
+
+  Improper(class LAMMPS *);
+  ~Improper() override;
+  virtual void init();
+  virtual void init_style() {}
+  virtual void compute(int, int) = 0;
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) = 0;
+  virtual void write_restart(FILE *) = 0;
+  virtual void read_restart(FILE *) = 0;
+  virtual void write_restart_settings(FILE *){};
+  virtual void read_restart_settings(FILE *){};
+  virtual void write_data(FILE *) {}
+  virtual double memory_usage();
+  virtual void born_matrix(int /*dtype*/, int /*at1*/, int /*at2*/, int /*at3*/, int /*at4*/,
+                           double &du, double &du2)
+  {
+    du = 0.0;
+    du2 = 0.0;
+  }
+
+ protected:
+  int suffix_flag;    // suffix compatibility flag
+
+  int evflag;
+  int eflag_either, eflag_global, eflag_atom;
+  int vflag_either, vflag_global, vflag_atom, cvflag_atom;
+  int maxeatom, maxvatom, maxcvatom;
+
+  void ev_init(int eflag, int vflag, int alloc = 1)
+  {
+    if (eflag || vflag)
+      ev_setup(eflag, vflag, alloc);
+    else
+      evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom =
+          cvflag_atom = 0;
+  }
+  void ev_setup(int, int, int alloc = 1);
+  void ev_tally(int, int, int, int, int, int, double, double *, double *, double *, double, double,
+                double, double, double, double, double, double, double);
+  void problem(const char *, int, int, int, int, int);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/info.h b/doc/includes/lammps/info.h
new file mode 100644
index 0000000000..ffe1907fae
--- /dev/null
+++ b/doc/includes/lammps/info.h
@@ -0,0 +1,79 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef COMMAND_CLASS
+// clang-format off
+CommandStyle(info,Info);
+// clang-format on
+#else
+
+#ifndef LMP_INFO_H
+#define LMP_INFO_H
+
+#include "command.h"
+
+#include <vector>
+
+namespace LAMMPS_NS {
+
+class Info : public Command {
+ public:
+  Info(class LAMMPS *lmp) : Command(lmp){};
+  void command(int, char **) override;
+
+  bool is_active(const char *, const char *);
+  bool is_defined(const char *, const char *);
+  bool is_available(const char *, const char *);
+
+  bool has_style(const std::string &category, const std::string &name);
+  std::vector<std::string> get_available_styles(const std::string &category);
+
+  static bool has_gzip_support();
+  static bool has_png_support();
+  static bool has_jpeg_support();
+  static bool has_ffmpeg_support();
+  static bool has_fft_single_support();
+  static bool has_exceptions();
+  static bool has_package(const std::string &);
+  static bool has_accelerator_feature(const std::string &, const std::string &,
+                                      const std::string &);
+  static bool has_gpu_device();
+  static std::string get_gpu_device_info();
+  static std::string get_accelerator_info(const std::string &pkg = "");
+
+  void get_memory_info(double *);
+  char **get_variable_names(int &num);
+
+ private:
+  void available_styles(FILE *out, int flags);
+
+  void atom_styles(FILE *out);
+  void integrate_styles(FILE *out);
+  void minimize_styles(FILE *out);
+  void pair_styles(FILE *out);
+  void bond_styles(FILE *out);
+  void angle_styles(FILE *out);
+  void dihedral_styles(FILE *out);
+  void improper_styles(FILE *out);
+  void kspace_styles(FILE *out);
+  void fix_styles(FILE *out);
+  void compute_styles(FILE *out);
+  void region_styles(FILE *out);
+  void dump_styles(FILE *out);
+  void command_styles(FILE *out);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
+#endif
diff --git a/doc/includes/lammps/input.h b/doc/includes/lammps/input.h
new file mode 100644
index 0000000000..f54d2ea4e5
--- /dev/null
+++ b/doc/includes/lammps/input.h
@@ -0,0 +1,149 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_INPUT_H
+#define LMP_INPUT_H
+
+#include "pointers.h"
+
+#include <map>
+
+namespace LAMMPS_NS {
+class Command;
+
+class Input : protected Pointers {
+  friend class Info;
+  friend class Error;
+  friend class Deprecated;
+  friend class SimpleCommandsTest_Echo_Test;
+
+ public:
+  int narg;                    // # of command args
+  char **arg;                  // parsed args for command
+  class Variable *variable;    // defined variables
+
+  Input(class LAMMPS *, int, char **);
+  ~Input() override;
+  void file();                       // process all input
+  void file(const char *);           // process an input script
+  char *one(const std::string &);    // process a single command
+  void substitute(char *&, char *&, int &, int &, int);
+  // substitute for variables in a string
+  void write_echo(const std::string &);    // send text to active echo file pointers
+
+ protected:
+  char *command;      // ptr to current command
+  int echo_screen;    // 0 = no, 1 = yes
+  int echo_log;       // 0 = no, 1 = yes
+
+ private:
+  int me;                           // proc ID
+  int maxarg;                       // max # of args in arg
+  char *line, *copy, *work;         // input line & copy and work string
+  int maxline, maxcopy, maxwork;    // max lengths of char strings
+  int nfile, maxfile;               // current # and max # of open input files
+  int label_active;                 // 0 = no label, 1 = looking for label
+  char *labelstr;                   // label string being looked for
+  int jump_skip;                    // 1 if skipping next jump, 0 otherwise
+  bool utf8_warn;                   // true if need to warn about UTF-8 chars
+
+  FILE **infiles;    // list of open input files
+
+ public:
+  typedef Command *(*CommandCreator)(LAMMPS *);
+  typedef std::map<std::string, CommandCreator> CommandCreatorMap;
+  CommandCreatorMap *command_map;
+
+ private:
+  void parse();                            // parse an input text line
+  char *nextword(char *, char **);         // find next word in string with quotes
+  int numtriple(char *);                   // count number of triple quotes
+  void reallocate(char *&, int &, int);    // reallocate a char string
+  int execute_command();                   // execute a single command
+
+  void clear();    // input script commands
+  void echo();
+  void ifthenelse();
+  void include();
+  void jump();
+  void label();
+  void log();
+  void next_command();
+  void partition();
+  void plugin();
+  void print();
+  void python();
+  void quit();
+  void shell();
+  void variable_command();
+
+  void angle_coeff();    // LAMMPS commands
+  void angle_style();
+  void atom_modify();
+  void atom_style();
+  void bond_coeff();
+  void bond_style();
+  void bond_write();
+  void boundary();
+  void box();
+  void comm_modify();
+  void comm_style();
+  void compute();
+  void compute_modify();
+  void dielectric();
+  void dihedral_coeff();
+  void dihedral_style();
+  void dimension();
+  void dump();
+  void dump_modify();
+  void fix();
+  void fix_modify();
+  void group_command();
+  void improper_coeff();
+  void improper_style();
+  void kspace_modify();
+  void kspace_style();
+  void lattice();
+  void mass();
+  void min_modify();
+  void min_style();
+  void molecule();
+  void neigh_modify();
+  void neighbor_command();
+  void newton();
+  void package();
+  void pair_coeff();
+  void pair_modify();
+  void pair_style();
+  void pair_write();
+  void processors();
+  void region();
+  void reset_timestep();
+  void restart();
+  void run_style();
+  void special_bonds();
+  void suffix();
+  void thermo();
+  void thermo_modify();
+  void thermo_style();
+  void timestep();
+  void timer_command();
+  void uncompute();
+  void undump();
+  void unfix();
+  void units();
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/kspace.h b/doc/includes/lammps/kspace.h
new file mode 100644
index 0000000000..3dca77c3c3
--- /dev/null
+++ b/doc/includes/lammps/kspace.h
@@ -0,0 +1,222 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_KSPACE_H
+#define LMP_KSPACE_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+#ifdef FFT_SINGLE
+typedef float FFT_SCALAR;
+#define MPI_FFT_SCALAR MPI_FLOAT
+#else
+typedef double FFT_SCALAR;
+#define MPI_FFT_SCALAR MPI_DOUBLE
+#endif
+
+namespace LAMMPS_NS {
+
+class KSpace : protected Pointers {
+  friend class ThrOMP;
+  friend class FixOMP;
+
+ public:
+  double energy;    // accumulated energies
+  double energy_1, energy_6;
+  double virial[6];          // accumulated virial: xx,yy,zz,xy,xz,yz
+  double *eatom, **vatom;    // accumulated per-atom energy/virial
+  double e2group;            // accumulated group-group energy
+  double f2group[3];         // accumulated group-group force
+  int triclinic_support;     // 1 if supports triclinic geometries
+
+  int ewaldflag;         // 1 if a Ewald solver
+  int pppmflag;          // 1 if a PPPM solver
+  int msmflag;           // 1 if a MSM solver
+  int dispersionflag;    // 1 if a LJ/dispersion solver
+  int tip4pflag;         // 1 if a TIP4P solver
+  int dipoleflag;        // 1 if a dipole solver
+  int spinflag;          // 1 if a spin solver
+  int differentiation_flag;
+  int neighrequest_flag;    // used to avoid obsolete construction
+                            // of neighbor lists
+  int mixflag;              // 1 if geometric mixing rules are enforced
+                            // for LJ coefficients
+  bool conp_one_step;       // calculate A matrix in one step with pppm
+  int slabflag, wireflag;
+  int scalar_pressure_flag;    // 1 if using MSM fast scalar pressure
+  double slab_volfactor, wire_volfactor;
+
+  int warn_nonneutral;    // 0 = error if non-neutral system
+                          // 1 = warn once if non-neutral system
+                          // 2 = warn, but already warned
+  int warn_nocharge;      // 0 = already warned
+                          // 1 = warn if zero charge
+
+  int order, order_6, order_allocated;
+  double accuracy;             // accuracy of KSpace solver (force units)
+  double accuracy_absolute;    // user-specified accuracy in force units
+  double accuracy_relative;    // user-specified dimensionless accuracy
+                               // accuracy = acc_rel * two_charge_force
+  double accuracy_real_6;      // real space accuracy for
+                               // dispersion solver (force units)
+  double accuracy_kspace_6;    // reciprocal space accuracy for
+                               // dispersion solver (force units)
+  int auto_disp_flag;          // use automatic parameter generation for pppm/disp
+  double two_charge_force;     // force in user units of two point
+                               // charges separated by 1 Angstrom
+
+  double g_ewald, g_ewald_6;
+  int nx_pppm, ny_pppm, nz_pppm;          // global FFT grid for Coulombics
+  int nx_pppm_6, ny_pppm_6, nz_pppm_6;    // global FFT grid for dispersion
+  int nx_msm_max, ny_msm_max, nz_msm_max;
+
+  int group_group_enable;    // 1 if style supports group/group calculation
+
+  int centroidstressflag;    // centroid stress compared to two-body stress
+                             // CENTROID_SAME = same as two-body stress
+                             // CENTROID_AVAIL = different and implemented
+                             // CENTROID_NOTAVAIL = different, not yet implemented
+
+  // KOKKOS host/device flag and data masks
+
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+  int copymode;
+
+  int compute_flag;       // 0 if skip compute()
+  int fftbench;           // 0 if skip FFT timing
+  int collective_flag;    // 1 if use MPI collectives for FFT/remap
+  int stagger_flag;       // 1 if using staggered PPPM grids
+
+  double splittol;    // tolerance for when to truncate splitting
+
+  KSpace(class LAMMPS *);
+  ~KSpace() override;
+  void two_charge();
+  void triclinic_check();
+  void modify_params(int, char **);
+  void *extract(const char *);
+  void compute_dummy(int, int);
+
+  // triclinic
+
+  void x2lamdaT(double *, double *);
+  void lamda2xT(double *, double *);
+  void lamda2xvector(double *, double *);
+  void kspacebbox(double, double *);
+
+  // public so can be called by commands that change charge
+
+  void qsum_qsq(int warning_flag = 1);
+
+  // general child-class methods
+
+  virtual void settings(int, char **){};
+  virtual void init() = 0;
+  virtual void setup() = 0;
+  virtual void setup_grid(){};
+  virtual void compute(int, int) = 0;
+  virtual void compute_group_group(int, int, int){};
+
+  virtual void pack_forward_grid(int, void *, int, int *){};
+  virtual void unpack_forward_grid(int, void *, int, int *){};
+  virtual void pack_reverse_grid(int, void *, int, int *){};
+  virtual void unpack_reverse_grid(int, void *, int, int *){};
+
+  virtual int timing(int, double &, double &) { return 0; }
+  virtual int timing_1d(int, double &) { return 0; }
+  virtual int timing_3d(int, double &) { return 0; }
+
+  virtual int modify_param(int, char **) { return 0; }
+  virtual double memory_usage() { return 0.0; }
+
+  /* ----------------------------------------------------------------------
+   compute gamma for MSM and pair styles
+   see Eq 4 from Parallel Computing 35 (2009) 164-177
+------------------------------------------------------------------------- */
+
+  double gamma(const double &rho) const
+  {
+    if (rho <= 1.0) {
+      const int split_order = order / 2;
+      const double rho2 = rho * rho;
+      double g = gcons[split_order][0];
+      double rho_n = rho2;
+      for (int n = 1; n <= split_order; n++) {
+        g += gcons[split_order][n] * rho_n;
+        rho_n *= rho2;
+      }
+      return g;
+    } else
+      return (1.0 / rho);
+  }
+
+  /* ----------------------------------------------------------------------
+   compute the derivative of gamma for MSM and pair styles
+   see Eq 4 from Parallel Computing 35 (2009) 164-177
+------------------------------------------------------------------------- */
+
+  double dgamma(const double &rho) const
+  {
+    if (rho <= 1.0) {
+      const int split_order = order / 2;
+      const double rho2 = rho * rho;
+      double dg = dgcons[split_order][0] * rho;
+      double rho_n = rho * rho2;
+      for (int n = 1; n < split_order; n++) {
+        dg += dgcons[split_order][n] * rho_n;
+        rho_n *= rho2;
+      }
+      return dg;
+    } else
+      return (-1.0 / rho / rho);
+  }
+
+  double **get_gcons() { return gcons; }
+  double **get_dgcons() { return dgcons; }
+
+ protected:
+  int gridflag, gridflag_6;
+  int gewaldflag, gewaldflag_6;
+  int minorder, overlap_allowed;
+  int adjust_cutoff_flag;
+  int suffix_flag;    // suffix compatibility flag
+  bigint natoms_original;
+  double scale, qqrd2e;
+  double qsum, qsqsum, q2;
+  double **gcons, **dgcons;    // accumulated per-atom energy/virial
+
+  int evflag, evflag_atom;
+  int eflag_either, eflag_global, eflag_atom;
+  int vflag_either, vflag_global, vflag_atom;
+  int maxeatom, maxvatom;
+
+  int kewaldflag;                      // 1 if kspace range set for Ewald sum
+  int kx_ewald, ky_ewald, kz_ewald;    // kspace settings for Ewald sum
+
+  void pair_check();
+  void ev_init(int eflag, int vflag, int alloc = 1)
+  {
+    if (eflag || vflag)
+      ev_setup(eflag, vflag, alloc);
+    else
+      evflag = evflag_atom = eflag_either = eflag_global = eflag_atom = vflag_either =
+          vflag_global = vflag_atom = 0;
+  }
+  void ev_setup(int, int, int alloc = 1);
+  double estimate_table_accuracy(double, double);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/lammps.h b/doc/includes/lammps/lammps.h
new file mode 100644
index 0000000000..4f3e9cf110
--- /dev/null
+++ b/doc/includes/lammps/lammps.h
@@ -0,0 +1,101 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_LAMMPS_H
+#define LMP_LAMMPS_H
+
+#include <cstdio>
+#include <mpi.h>
+
+namespace LAMMPS_NS {
+
+class LAMMPS {
+ public:
+  // ptrs to fundamental LAMMPS classes
+  class Memory *memory;            // memory allocation functions
+  class Error *error;              // error handling
+  class Universe *universe;        // universe of processors
+  class Input *input;              // input script processing
+                                   // ptrs to top-level LAMMPS-specific classes
+  class Atom *atom;                // atom-based quantities
+  class Update *update;            // integrators/minimizers
+  class Neighbor *neighbor;        // neighbor lists
+  class Comm *comm;                // inter-processor communication
+  class Domain *domain;            // simulation box
+  class Force *force;              // inter-particle forces
+  class Modify *modify;            // fixes and computes
+  class Group *group;              // groups of atoms
+  class Output *output;            // thermo/dump/restart
+  class Timer *timer;              // CPU timing info
+                                   //
+  class KokkosLMP *kokkos;         // KOKKOS accelerator class
+  class AtomKokkos *atomKK;        // KOKKOS version of Atom class
+  class MemoryKokkos *memoryKK;    // KOKKOS version of Memory class
+  class Python *python;            // Python interface
+  class CiteMe *citeme;            // handle citation info
+
+  const char *version;    // LAMMPS version string = date
+  int num_ver;            // numeric version id derived from *version*
+                          // that is constructed so that will be greater
+                          // for newer versions in numeric or string
+                          // value comparisons
+                          //
+  MPI_Comm world;         // MPI communicator
+  FILE *infile;           // infile
+  FILE *screen;           // screen output
+  FILE *logfile;          // logfile
+                          //
+  double initclock;       // wall clock at instantiation
+  int skiprunflag;        // 1 inserts timer command to skip run and minimize loops
+
+  char *suffix, *suffix2, *suffixp;    // suffixes to add to input script style names
+  int suffix_enable;                   // 1 if suffixes are enabled, 0 if disabled
+  char *exename;                       // pointer to argv[0]
+                                       //
+  char ***packargs;                    // arguments for cmdline package commands
+  int num_package;                     // number of cmdline package commands
+                                       //
+  int clientserver;                    // 0 = neither, 1 = client, 2 = server
+  void *cslib;                         // client/server messaging via CSlib
+  MPI_Comm cscomm;                     // MPI comm for client+server in mpi/one mode
+
+  const char *match_style(const char *style, const char *name);
+  static const char *installed_packages[];
+  static bool is_installed_pkg(const char *pkg);
+
+  static bool has_git_info();
+  static const char *git_commit();
+  static const char *git_branch();
+  static const char *git_descriptor();
+
+  LAMMPS(int, char **, MPI_Comm);
+  ~LAMMPS();
+  void create();
+  void post_create();
+  void init();
+  void destroy();
+  void print_config(FILE *);    // print compile time settings
+
+ private:
+  struct package_styles_lists *pkg_lists;
+  void init_pkg_lists();
+  void help();
+  /// Default constructor. Declared private to prohibit its use
+  LAMMPS(){};
+  /// Copy constructor. Declared private to prohibit its use
+  LAMMPS(const LAMMPS &){};
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/lattice.h b/doc/includes/lammps/lattice.h
new file mode 100644
index 0000000000..67b9ce61ea
--- /dev/null
+++ b/doc/includes/lammps/lattice.h
@@ -0,0 +1,62 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_LATTICE_H
+#define LMP_LATTICE_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class Lattice : protected Pointers {
+ public:
+  enum { NONE, SC, BCC, FCC, HCP, DIAMOND, SQ, SQ2, HEX, CUSTOM };
+
+  int style;                              // NONE,SC,FCC,etc
+  double xlattice, ylattice, zlattice;    // lattice scale factors in 3 dims
+  double a1[3], a2[3], a3[3];             // edge vectors of unit cell
+  int nbasis;                             // # of basis atoms in unit cell
+  double **basis;                         // fractional coords of each basis atom
+                                          // within unit cell (0 <= coord < 1)
+
+  Lattice(class LAMMPS *, int, char **);
+  ~Lattice() override;
+  void lattice2box(double &, double &, double &);
+  void box2lattice(double &, double &, double &);
+  void bbox(int, double, double, double, double &, double &, double &, double &, double &,
+            double &);
+
+ private:
+  double scale;
+  double origin[3];    // lattice origin
+  int orientx[3];      // lattice orientation vecs
+  int orienty[3];      // orientx = what lattice dir lies
+  int orientz[3];      //           along x dim in box
+
+  double primitive[3][3];    // lattice <-> box transform matrices
+  double priminv[3][3];
+  double rotaterow[3][3];
+  double rotatecol[3][3];
+
+  int orthogonal();
+  int right_handed();
+  int collinear();
+  void setup_transform();
+  void add_basis(double, double, double);
+  double dot(double *, double *);
+  void cross(double *, double *, double *);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/library.h b/doc/includes/lammps/library.h
new file mode 100644
index 0000000000..311219e5ba
--- /dev/null
+++ b/doc/includes/lammps/library.h
@@ -0,0 +1,267 @@
+/* -*- c -*- ------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LAMMPS_LIBRARY_H
+#define LAMMPS_LIBRARY_H
+
+/* C style library interface to LAMMPS which allows to create and
+ * control instances of the LAMMPS C++ class and exchange data with it.
+ * The C bindings are the basis for the Python and Fortran modules.
+ *
+ * If needed, new LAMMPS-specific functions can be added to expose
+ * additional LAMMPS functionality to this library interface. */
+
+/* We follow the behavior of regular LAMMPS compilation and assume
+ * -DLAMMPS_SMALLBIG when no define is set. */
+
+#if !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG) && !defined(LAMMPS_SMALLSMALL)
+#define LAMMPS_SMALLBIG
+#endif
+
+/* To allow including the library interface without MPI */
+
+#if defined(LAMMPS_LIB_MPI)
+#include <mpi.h>
+#endif
+
+#if defined(LAMMPS_BIGBIG) || defined(LAMMPS_SMALLBIG)
+#include <stdint.h> /* for int64_t */
+#endif
+
+/** Data type constants for extracting data from atoms, computes and fixes
+ *
+ * Must be kept in sync with the equivalent constants in lammps/constants.py */
+
+enum _LMP_DATATYPE_CONST {
+  LAMMPS_INT = 0,       /*!< 32-bit integer (array) */
+  LAMMPS_INT_2D = 1,    /*!< two-dimensional 32-bit integer array */
+  LAMMPS_DOUBLE = 2,    /*!< 64-bit double (array) */
+  LAMMPS_DOUBLE_2D = 3, /*!< two-dimensional 64-bit double array */
+  LAMMPS_INT64 = 4,     /*!< 64-bit integer (array) */
+  LAMMPS_INT64_2D = 5,  /*!< two-dimensional 64-bit integer array */
+  LAMMPS_STRING = 6     /*!< C-String */
+};
+
+/** Style constants for extracting data from computes and fixes.
+ *
+ * Must be kept in sync with the equivalent constants in lammps/constants.py */
+
+enum _LMP_STYLE_CONST {
+  LMP_STYLE_GLOBAL = 0, /*!< return global data */
+  LMP_STYLE_ATOM = 1,   /*!< return per-atom data */
+  LMP_STYLE_LOCAL = 2   /*!< return local data */
+};
+
+/** Type and size constants for extracting data from computes and fixes.
+ *
+ * Must be kept in sync with the equivalent constants in lammps/constants.py */
+
+enum _LMP_TYPE_CONST {
+  LMP_TYPE_SCALAR = 0, /*!< return scalar */
+  LMP_TYPE_VECTOR = 1, /*!< return vector */
+  LMP_TYPE_ARRAY = 2,  /*!< return array */
+  LMP_SIZE_VECTOR = 3, /*!< return length of vector */
+  LMP_SIZE_ROWS = 4,   /*!< return number of rows */
+  LMP_SIZE_COLS = 5    /*!< return number of columns */
+};
+
+/* Ifdefs to allow this file to be included in C and C++ programs */
+
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+/* ----------------------------------------------------------------------
+ * Library functions to create/destroy an instance of LAMMPS
+ * ---------------------------------------------------------------------- */
+
+#if defined(LAMMPS_LIB_MPI)
+void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr);
+#endif
+void *lammps_open_no_mpi(int argc, char **argv, void **ptr);
+void *lammps_open_fortran(int argc, char **argv, int f_comm);
+void lammps_close(void *handle);
+
+void lammps_mpi_init();
+void lammps_mpi_finalize();
+void lammps_kokkos_finalize();
+void lammps_python_finalize();
+
+/* ----------------------------------------------------------------------
+ * Library functions to process commands
+ * ---------------------------------------------------------------------- */
+
+void lammps_file(void *handle, const char *file);
+
+char *lammps_command(void *handle, const char *cmd);
+void lammps_commands_list(void *handle, int ncmd, const char **cmds);
+void lammps_commands_string(void *handle, const char *str);
+
+/* -----------------------------------------------------------------------
+ * Library functions to extract info from LAMMPS or set data in LAMMPS
+ * ----------------------------------------------------------------------- */
+
+double lammps_get_natoms(void *handle);
+double lammps_get_thermo(void *handle, const char *keyword);
+
+void lammps_extract_box(void *handle, double *boxlo, double *boxhi, double *xy, double *yz,
+                        double *xz, int *pflags, int *boxflag);
+void lammps_reset_box(void *handle, double *boxlo, double *boxhi, double xy, double yz, double xz);
+
+void lammps_memory_usage(void *handle, double *meminfo);
+int lammps_get_mpi_comm(void *handle);
+
+int lammps_extract_setting(void *handle, const char *keyword);
+int lammps_extract_global_datatype(void *handle, const char *name);
+void *lammps_extract_global(void *handle, const char *name);
+
+/* ----------------------------------------------------------------------
+ * Library functions to read or modify per-atom data in LAMMPS
+ * ---------------------------------------------------------------------- */
+
+int lammps_extract_atom_datatype(void *handle, const char *name);
+void *lammps_extract_atom(void *handle, const char *name);
+
+/* ----------------------------------------------------------------------
+ * Library functions to access data from computes, fixes, variables in LAMMPS
+ * ---------------------------------------------------------------------- */
+
+void *lammps_extract_compute(void *handle, const char *, int, int);
+void *lammps_extract_fix(void *handle, const char *, int, int, int, int);
+void *lammps_extract_variable(void *handle, const char *, const char *);
+int lammps_set_variable(void *, char *, char *);
+
+/* ----------------------------------------------------------------------
+ * Library functions for scatter/gather operations of data
+ * ---------------------------------------------------------------------- */
+
+void lammps_gather_atoms(void *handle, char *name, int type, int count, void *data);
+void lammps_gather_atoms_concat(void *handle, char *name, int type, int count, void *data);
+void lammps_gather_atoms_subset(void *handle, char *name, int type, int count, int ndata, int *ids,
+                                void *data);
+void lammps_scatter_atoms(void *handle, char *name, int type, int count, void *data);
+void lammps_scatter_atoms_subset(void *handle, char *name, int type, int count, int ndata, int *ids,
+                                 void *data);
+
+void lammps_gather_bonds(void *handle, void *data);
+
+void lammps_gather(void *handle, char *name, int type, int count, void *data);
+void lammps_gather_concat(void *handle, char *name, int type, int count, void *data);
+void lammps_gather_subset(void *handle, char *name, int type, int count, int ndata, int *ids,
+                          void *data);
+void lammps_scatter(void *handle, char *name, int type, int count, void *data);
+void lammps_scatter_subset(void *handle, char *name, int type, int count, int ndata, int *ids,
+                           void *data);
+
+#if !defined(LAMMPS_BIGBIG)
+int lammps_create_atoms(void *handle, int n, const int *id, const int *type, const double *x,
+                        const double *v, const int *image, int bexpand);
+#else
+int lammps_create_atoms(void *handle, int n, const int64_t *id, const int *type, const double *x,
+                        const double *v, const int64_t *image, int bexpand);
+#endif
+
+/* ----------------------------------------------------------------------
+ * Library functions for accessing neighbor lists
+ * ---------------------------------------------------------------------- */
+
+int lammps_find_pair_neighlist(void *handle, const char *style, int exact, int nsub, int request);
+int lammps_find_fix_neighlist(void *handle, const char *id, int request);
+int lammps_find_compute_neighlist(void *handle, const char *id, int request);
+int lammps_neighlist_num_elements(void *handle, int idx);
+void lammps_neighlist_element_neighbors(void *handle, int idx, int element, int *iatom,
+                                        int *numneigh, int **neighbors);
+
+/* ----------------------------------------------------------------------
+ * Library functions for retrieving configuration information
+ * ---------------------------------------------------------------------- */
+
+int lammps_version(void *handle);
+void lammps_get_os_info(char *buffer, int buf_size);
+
+int lammps_config_has_mpi_support();
+int lammps_config_has_gzip_support();
+int lammps_config_has_png_support();
+int lammps_config_has_jpeg_support();
+int lammps_config_has_ffmpeg_support();
+int lammps_config_has_exceptions();
+
+int lammps_config_has_package(const char *);
+int lammps_config_package_count();
+int lammps_config_package_name(int, char *, int);
+
+int lammps_config_accelerator(const char *, const char *, const char *);
+int lammps_has_gpu_device();
+void lammps_get_gpu_device_info(char *buffer, int buf_size);
+
+int lammps_has_style(void *, const char *, const char *);
+int lammps_style_count(void *, const char *);
+int lammps_style_name(void *, const char *, int, char *, int);
+
+int lammps_has_id(void *, const char *, const char *);
+int lammps_id_count(void *, const char *);
+int lammps_id_name(void *, const char *, int, char *, int);
+
+int lammps_plugin_count();
+int lammps_plugin_name(int, char *, char *, int);
+
+/* ----------------------------------------------------------------------
+ * Utility functions
+ * ---------------------------------------------------------------------- */
+
+#if !defined(LAMMPS_BIGBIG)
+int lammps_encode_image_flags(int ix, int iy, int iz);
+void lammps_decode_image_flags(int image, int *flags);
+#else
+int64_t lammps_encode_image_flags(int ix, int iy, int iz);
+void lammps_decode_image_flags(int64_t image, int *flags);
+#endif
+
+#if defined(LAMMPS_BIGBIG)
+typedef void (*FixExternalFnPtr)(void *, int64_t, int, int64_t *, double **, double **);
+void lammps_set_fix_external_callback(void *handle, const char *id, FixExternalFnPtr funcptr,
+                                      void *ptr);
+#elif defined(LAMMPS_SMALLBIG)
+typedef void (*FixExternalFnPtr)(void *, int64_t, int, int *, double **, double **);
+void lammps_set_fix_external_callback(void *, const char *, FixExternalFnPtr, void *);
+#else
+typedef void (*FixExternalFnPtr)(void *, int, int, int *, double **, double **);
+void lammps_set_fix_external_callback(void *, const char *, FixExternalFnPtr, void *);
+#endif
+double **lammps_fix_external_get_force(void *handle, const char *id);
+void lammps_fix_external_set_energy_global(void *handle, const char *id, double eng);
+void lammps_fix_external_set_energy_peratom(void *handle, const char *id, double *eng);
+void lammps_fix_external_set_virial_global(void *handle, const char *id, double *virial);
+void lammps_fix_external_set_virial_peratom(void *handle, const char *id, double **virial);
+void lammps_fix_external_set_vector_length(void *handle, const char *id, int len);
+void lammps_fix_external_set_vector(void *handle, const char *id, int idx, double val);
+
+void lammps_flush_buffers(void *ptr);
+
+void lammps_free(void *ptr);
+
+int lammps_is_running(void *handle);
+void lammps_force_timeout(void *handle);
+
+int lammps_has_error(void *handle);
+int lammps_get_last_error_message(void *handle, char *buffer, int buf_size);
+
+#ifdef __cplusplus
+}
+#endif
+
+#endif /* LAMMPS_LIBRARY_H */
+
+/* Local Variables:
+ * fill-column: 72
+ * End: */
diff --git a/doc/includes/lammps/lmppython.h b/doc/includes/lammps/lmppython.h
new file mode 100644
index 0000000000..145c06a6af
--- /dev/null
+++ b/doc/includes/lammps/lmppython.h
@@ -0,0 +1,57 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_PYTHON_H
+#define LMP_PYTHON_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class PythonInterface {
+ public:
+  virtual ~PythonInterface() = default;
+  virtual void command(int, char **) = 0;
+  virtual void invoke_function(int, char *) = 0;
+  virtual int find(const char *) = 0;
+  virtual int variable_match(const char *, const char *, int) = 0;
+  virtual char *long_string(int ifunc) = 0;
+  virtual int execute_string(char *) = 0;
+  virtual int execute_file(char *) = 0;
+  virtual bool has_minimum_version(int major, int minor) = 0;
+};
+
+class Python : protected Pointers {
+ public:
+  Python(class LAMMPS *);
+  ~Python() override;
+
+  void command(int, char **);
+  void invoke_function(int, char *);
+  int find(const char *);
+  int variable_match(const char *, const char *, int);
+  char *long_string(int ifunc);
+  int execute_string(char *);
+  int execute_file(char *);
+  bool has_minimum_version(int major, int minor);
+
+  bool is_enabled() const;
+  void init();
+  static void finalize();
+
+ private:
+  PythonInterface *impl;
+};
+
+}    // namespace LAMMPS_NS
+#endif
diff --git a/doc/includes/lammps/lmptype.h b/doc/includes/lammps/lmptype.h
new file mode 100644
index 0000000000..e02cd74734
--- /dev/null
+++ b/doc/includes/lammps/lmptype.h
@@ -0,0 +1,299 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+// define integer data types used by LAMMPS and associated size limits
+
+// smallint = variables for on-processor system (nlocal, nmax, etc)
+// imageint = variables for atom image flags (image)
+// tagint = variables for atom IDs and molecule IDs (tag,molecule)
+// bigint = variables for total system (natoms, ntimestep, etc)
+
+// smallint must be an int, as defined by C compiler
+// imageint can be 32-bit or 64-bit int, must be >= smallint
+// tagint can be 32-bit or 64-bit int, must be >= smallint
+// bigint can be 32-bit or 64-bit int, must be >= imageint,tagint
+
+// MPI_LMP_BIGINT = MPI data type corresponding to a bigint
+
+#ifndef LMP_LMPTYPE_H
+#define LMP_LMPTYPE_H
+
+// C++11 check
+
+#if __cplusplus < 201103L
+#error LAMMPS requires a C++11 (or later) compliant compiler. Enable C++11 compatibility or upgrade the compiler.
+#endif
+
+#ifndef __STDC_LIMIT_MACROS
+#define __STDC_LIMIT_MACROS
+#endif
+
+#ifndef __STDC_FORMAT_MACROS
+#define __STDC_FORMAT_MACROS
+#endif
+
+#include <cinttypes>    // IWYU pragma: export
+#include <climits>      // IWYU pragma: export
+#include <cstdint>      // IWYU pragma: export
+#include <cstdlib>      // IWYU pragma: export
+
+// grrr - IBM Power6 does not provide this def in their system header files
+
+#ifndef PRId64
+#define PRId64 "ld"
+#endif
+
+namespace LAMMPS_NS {
+
+// reserve 2 highest bits in molecular system neigh list for special bonds flag
+// reserve 3rd highest bit in neigh list for fix neigh/history flag
+// max local + ghost atoms per processor = 2^29 - 1
+
+#define SBBITS 30
+#define HISTBITS 29
+#define NEIGHMASK 0x1FFFFFFF
+#define HISTMASK 0xDFFFFFFF
+#define SPECIALMASK 0x3FFFFFFF
+
+// default to 32-bit smallint and other ints, 64-bit bigint
+
+#if !defined(LAMMPS_SMALLSMALL) && !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG)
+#define LAMMPS_SMALLBIG
+#endif
+
+// allow user override of LONGLONG to LONG, necessary for some machines/MPI
+
+#ifdef LAMMPS_LONGLONG_TO_LONG
+#define MPI_LL MPI_LONG
+#define ATOLL atoll
+#else
+#define MPI_LL MPI_LONG_LONG
+#define ATOLL atol
+#endif
+
+// for atomic problems that exceed 2 billion (2^31) atoms
+// 32-bit smallint/imageint/tagint, 64-bit bigint
+// atom IDs and molecule IDs are limited to 32-bit
+
+#ifdef LAMMPS_SMALLBIG
+
+typedef int smallint;
+typedef int imageint;
+typedef int tagint;
+typedef int64_t bigint;
+
+#define MAXSMALLINT INT_MAX
+#define MAXTAGINT INT_MAX
+#define MAXBIGINT INT64_MAX
+
+#define MPI_LMP_TAGINT MPI_INT
+#define MPI_LMP_IMAGEINT MPI_INT
+#define MPI_LMP_BIGINT MPI_LL
+
+#define TAGINT_FORMAT "%d"
+#define BIGINT_FORMAT "%" PRId64
+
+#define ATOTAGINT atoi
+#define ATOBIGINT ATOLL
+
+#define LAMMPS_TAGINT LAMMPS_INT
+#define LAMMPS_TAGINT_2D LAMMPS_INT_2D
+#define LAMMPS_BIGINT LAMMPS_INT64
+#define LAMMPS_BIGINT_2D LAMMPS_INT64_2D
+
+#define IMGMASK 1023
+#define IMGMAX 512
+#define IMGBITS 10
+#define IMG2BITS 20
+
+#endif
+
+// for molecular problems that exceed 2 billion (2^31) atoms
+// or problems where atoms wrap around the periodic box more than 512 times
+// 32-bit smallint, 64-bit imageint/tagint/bigint
+
+#ifdef LAMMPS_BIGBIG
+
+typedef int smallint;
+typedef int64_t imageint;
+typedef int64_t tagint;
+typedef int64_t bigint;
+
+#define MAXSMALLINT INT_MAX
+#define MAXTAGINT INT64_MAX
+#define MAXBIGINT INT64_MAX
+
+#define MPI_LMP_TAGINT MPI_LL
+#define MPI_LMP_IMAGEINT MPI_LL
+#define MPI_LMP_BIGINT MPI_LL
+
+#define TAGINT_FORMAT "%" PRId64
+#define BIGINT_FORMAT "%" PRId64
+
+#define ATOTAGINT ATOLL
+#define ATOBIGINT ATOLL
+
+#define LAMMPS_TAGINT LAMMPS_INT64
+#define LAMMPS_TAGINT_2D LAMMPS_INT64_2D
+#define LAMMPS_BIGINT LAMMPS_INT64
+#define LAMMPS_BIGINT_2D LAMMPS_INT64_2D
+
+#define IMGMASK 2097151
+#define IMGMAX 1048576
+#define IMGBITS 21
+#define IMG2BITS 42
+
+#endif
+
+// for machines that do not support 64-bit ints
+// 32-bit smallint/imageint/tagint/bigint
+
+#ifdef LAMMPS_SMALLSMALL
+
+typedef int smallint;
+typedef int imageint;
+typedef int tagint;
+typedef int bigint;
+
+#define MAXSMALLINT INT_MAX
+#define MAXTAGINT INT_MAX
+#define MAXBIGINT INT_MAX
+
+#define MPI_LMP_TAGINT MPI_INT
+#define MPI_LMP_IMAGEINT MPI_INT
+#define MPI_LMP_BIGINT MPI_INT
+
+#define TAGINT_FORMAT "%d"
+#define BIGINT_FORMAT "%d"
+
+#define ATOTAGINT atoi
+#define ATOBIGINT atoi
+
+#define LAMMPS_TAGINT LAMMPS_INT
+#define LAMMPS_TAGINT_2D LAMMPS_INT_2D
+#define LAMMPS_BIGINT LAMMPS_INT
+#define LAMMPS_BIGINT_2D LAMMPS_INT_2D
+
+#define IMGMASK 1023
+#define IMGMAX 512
+#define IMGBITS 10
+#define IMG2BITS 20
+
+#endif
+
+/** Data structure for packing 32-bit and 64-bit integers
+ * into double (communication) buffers
+ *
+ * Using this union avoids aliasing issues by having member types
+ * (double, int) referencing the same buffer memory location.
+ *
+ * The explicit constructor for 32-bit integers prevents compilers
+ * from (incorrectly) calling the double constructor when storing
+ * an int into a double buffer.
+\verbatim embed:rst
+
+**Usage:**
+
+.. code-block:: c++
+   :caption: To copy an integer into a double buffer:
+
+   double buf[2];
+   int    foo =   1;
+   tagint bar = 2<<40;
+   buf[1] = ubuf(foo).d;
+   buf[2] = ubuf(bar).d;
+
+.. code-block:: c++
+   :caption: To copy from a double buffer back to an int:
+
+   foo = (int)    ubuf(buf[1]).i;
+   bar = (tagint) ubuf(buf[2]).i;
+
+The typecasts prevent compiler warnings about possible truncation issues.
+\endverbatim
+  */
+union ubuf {
+  double d;
+  int64_t i;
+  ubuf(const double &arg) : d(arg) {}
+  ubuf(const int64_t &arg) : i(arg) {}
+  ubuf(const int &arg) : i(arg) {}
+};
+}    // namespace LAMMPS_NS
+
+// preprocessor macros for compiler specific settings
+// clear previous definitions to avoid redefinition warning
+
+#ifdef _alignvar
+#undef _alignvar
+#endif
+#ifdef _noalias
+#undef _noalias
+#endif
+#ifdef _noopt
+#undef _noopt
+#endif
+
+// define stack variable alignment
+
+#if defined(__INTEL_COMPILER)
+#define _alignvar(expr, val) __declspec(align(val)) expr
+#elif defined(__GNUC__) || defined(__PGI) || defined(__INTEL_LLVM_COMPILER)
+#define _alignvar(expr, val) expr __attribute((aligned(val)))
+#else
+#define _alignvar(expr, val) expr
+#endif
+
+// declaration to lift aliasing restrictions
+
+#if defined(__INTEL_COMPILER) || defined(__PGI)
+#define _noalias restrict
+#elif defined(__GNUC__) || defined(__INTEL_LLVM_COMPILER)
+#define _noalias __restrict
+#else
+#define _noalias
+#endif
+
+// Declaration to turn off optimization for specific noncritical
+// functions and avoid compiler warnings about variable tracking.
+// Disable for broken -D_FORTIFY_SOURCE feature.
+
+#if defined(__clang__)
+#define _noopt __attribute__((optnone))
+#elif defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
+#define _noopt
+#elif defined(__PGI)
+#define _noopt
+#elif defined(__GNUC__)
+#if (__GNUC__ > 4) || ((__GNUC__ == 4) && (__GNUC_MINOR__ >= 9))
+#if defined(_FORTIFY_SOURCE) && (_FORTIFY_SOURCE > 0)
+#define _noopt __attribute__((optimize("no-var-tracking-assignments")))
+#else
+#define _noopt __attribute__((optimize("O0", "no-var-tracking-assignments")))
+#endif
+#else
+#if defined(_FORTIFY_SOURCE) && (_FORTIFY_SOURCE > 0)
+#define _noopt
+#else
+#define _noopt __attribute__((optimize("O0")))
+#endif
+#endif
+#else
+#define _noopt
+#endif
+
+// suppress unused parameter warning
+
+#define LMP_UNUSED_PARAM(x) (void) (x)
+
+#endif
diff --git a/doc/includes/lammps/memory.h b/doc/includes/lammps/memory.h
new file mode 100644
index 0000000000..b680821d0d
--- /dev/null
+++ b/doc/includes/lammps/memory.h
@@ -0,0 +1,751 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_MEMORY_H
+#define LMP_MEMORY_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class Memory : protected Pointers {
+ public:
+  Memory(class LAMMPS *);
+
+  void *smalloc(bigint n, const char *);
+  void *srealloc(void *, bigint n, const char *);
+  void sfree(void *);
+  void fail(const char *);
+
+  /* ----------------------------------------------------------------------
+   create/grow/destroy vecs and multidim arrays with contiguous memory blocks
+   only use with primitive data types, e.g. 1d vec of ints, 2d array of doubles
+   fail() prevents use with pointers,
+     e.g. 1d vec of int*, due to mismatched destroy
+   avoid use with non-primitive data types to avoid code bloat
+   for these other cases, use smalloc/srealloc/sfree directly
+------------------------------------------------------------------------- */
+
+  /* ----------------------------------------------------------------------
+   create a 1d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE *create(TYPE *&array, int n, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n <= 0) return nullptr;
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n;
+    array = (TYPE *) smalloc(nbytes, name);
+    return array;
+  }
+
+  template <typename TYPE> TYPE **create(TYPE **& /*array*/, int /*n*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   grow or shrink 1d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE *grow(TYPE *&array, int n, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n <= 0) {
+    //  destroy(array);
+    //  return nullptr;
+    // }
+
+    if (array == nullptr) return create(array, n, name);
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n;
+    array = (TYPE *) srealloc(array, nbytes, name);
+    return array;
+  }
+
+  template <typename TYPE> TYPE **grow(TYPE **& /*array*/, int /*n*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   destroy a 1d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy(TYPE *&array)
+  {
+    sfree(array);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 1d array with index from nlo to nhi inclusive
+   cannot grow it
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE *create1d_offset(TYPE *&array, int nlo, int nhi, const char *name)
+  {
+    // POSSIBLE future change
+    // if (nlo > nhi) return nullptr;
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * (nhi - nlo + 1);
+    array = (TYPE *) smalloc(nbytes, name);
+    array -= nlo;
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE **create1d_offset(TYPE **& /*array*/, int /*nlo*/, int /*nhi*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   destroy a 1d array with index offset
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy1d_offset(TYPE *&array, int offset)
+  {
+    if (array) sfree(&array[offset]);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 2d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE **create(TYPE **&array, int n1, int n2, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2 <= 0) return nullptr;
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n1 * n2;
+    TYPE *data = (TYPE *) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1;
+    array = (TYPE **) smalloc(nbytes, name);
+
+    bigint n = 0;
+    for (int i = 0; i < n1; i++) {
+      array[i] = &data[n];
+      n += n2;
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ***create(TYPE ***& /*array*/, int /*n1*/, int /*n2*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   grow or shrink 1st dim of a 2d array
+   last dim must stay the same
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE **grow(TYPE **&array, int n1, int n2, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2 <= 0) {
+    //  destroy(array);
+    //  return nullptr;
+    // }
+
+    if (array == nullptr) return create(array, n1, n2, name);
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n1 * n2;
+    TYPE *data = (TYPE *) srealloc(array[0], nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1;
+    array = (TYPE **) srealloc(array, nbytes, name);
+
+    bigint n = 0;
+    for (int i = 0; i < n1; i++) {
+      array[i] = &data[n];
+      n += n2;
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ***grow(TYPE ***& /*array*/, int /*n1*/, int /*n2*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   destroy a 2d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy(TYPE **&array)
+  {
+    if (array == nullptr) return;
+    sfree(array[0]);
+    sfree(array);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 2d array with a ragged 2nd dimension
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE **create_ragged(TYPE **&array, int n1, int *n2, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0) return nullptr;
+
+    bigint n2sum = 0;
+    for (int i = 0; i < n1; i++) n2sum += n2[i];
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n2sum;
+    TYPE *data = (TYPE *) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1;
+    array = (TYPE **) smalloc(nbytes, name);
+
+    bigint n = 0;
+    for (int i = 0; i < n1; i++) {
+      array[i] = &data[n];
+      n += n2[i];
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ***create_ragged(TYPE ***&array, int n1, int *n2, int **n3, const char *name)
+  {
+    bigint size, nbytes;
+    int i, j;
+
+    size = 0;
+    for (i = 0; i < n1; i++)
+      for (j = 0; j < n2[i]; j++) size += n3[i][j];
+    nbytes = ((bigint) sizeof(TYPE)) * size;
+    TYPE *data = (TYPE *) smalloc(nbytes, name);
+
+    size = 0;
+    for (i = 0; i < n1; i++) size += n2[i];
+    nbytes = ((bigint) sizeof(TYPE *)) * size;
+    TYPE **plane = (TYPE **) smalloc(nbytes, name);
+
+    nbytes = ((bigint) sizeof(TYPE **)) * n1;
+    array = (TYPE ***) smalloc(nbytes, name);
+
+    bigint m = 0;
+    bigint n = 0;
+    for (i = 0; i < n1; i++) {
+      array[i] = &plane[m];
+      for (j = 0; j < n2[i]; j++) {
+        plane[m + j] = &data[n];
+        n += n3[i][j];
+      }
+      m += n2[i];
+    }
+
+    return array;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 2d array with 2nd index from n2lo to n2hi inclusive
+   cannot grow it
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  TYPE **create2d_offset(TYPE **&array, int n1, int n2lo, int n2hi, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2lo > n2hi) return nullptr;
+
+    int n2 = n2hi - n2lo + 1;
+    create(array, n1, n2, name);
+    for (int i = 0; i < n1; i++) array[i] -= n2lo;
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ***create2d_offset(TYPE ***& /*array*/, int /*n1*/, int /*n2lo*/, int /*n2hi*/,
+                          const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   destroy a 2d array with 2nd index offset
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy2d_offset(TYPE **&array, int offset)
+  {
+    if (array == nullptr) return;
+    sfree(&array[0][offset]);
+    sfree(array);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 3d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE ***create(TYPE ***&array, int n1, int n2, int n3, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2 <= 0 || n3 <= 0) return nullptr;
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n1 * n2 * n3;
+    TYPE *data = (TYPE *) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1 * n2;
+    TYPE **plane = (TYPE **) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE **)) * n1;
+    array = (TYPE ***) smalloc(nbytes, name);
+
+    int i, j;
+    bigint m;
+    bigint n = 0;
+    for (i = 0; i < n1; i++) {
+      m = ((bigint) i) * n2;
+      array[i] = &plane[m];
+      for (j = 0; j < n2; j++) {
+        plane[m + j] = &data[n];
+        n += n3;
+      }
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ****create(TYPE ****& /*array*/, int /*n1*/, int /*n2*/, int /*n3*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   grow or shrink 1st dim of a 3d array
+   last 2 dims must stay the same
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> TYPE ***grow(TYPE ***&array, int n1, int n2, int n3, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2 <= 0 || n3 <= 0) {
+    //  destroy(array);
+    //  return nullptr;
+    //};
+
+    if (array == nullptr) return create(array, n1, n2, n3, name);
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n1 * n2 * n3;
+    TYPE *data = (TYPE *) srealloc(array[0][0], nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1 * n2;
+    TYPE **plane = (TYPE **) srealloc(array[0], nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE **)) * n1;
+    array = (TYPE ***) srealloc(array, nbytes, name);
+
+    int i, j;
+    bigint m;
+    bigint n = 0;
+    for (i = 0; i < n1; i++) {
+      m = ((bigint) i) * n2;
+      array[i] = &plane[m];
+      for (j = 0; j < n2; j++) {
+        plane[m + j] = &data[n];
+        n += n3;
+      }
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ****grow(TYPE ****& /*array*/, int /*n1*/, int /*n2*/, int /*n3*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   destroy a 3d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy(TYPE ***&array)
+  {
+    if (array == nullptr) return;
+    sfree(array[0][0]);
+    sfree(array[0]);
+    sfree(array);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 3d array with 1st index from n1lo to n1hi inclusive
+   cannot grow it
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  TYPE ***create3d_offset(TYPE ***&array, int n1lo, int n1hi, int n2, int n3, const char *name)
+  {
+    if (n1lo > n1hi || n2 <= 0 || n3 <= 0) return nullptr;
+
+    int n1 = n1hi - n1lo + 1;
+    create(array, n1, n2, n3, name);
+    array -= n1lo;
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ****create3d_offset(TYPE ****& /*array*/, int /*n1lo*/, int /*n1hi*/, int /*n2*/, int /*n3*/,
+                           const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   free a 3d array with 1st index offset
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy3d_offset(TYPE ***&array, int offset)
+  {
+    if (array == nullptr) return;
+    sfree(&array[offset][0][0]);
+    sfree(&array[offset][0]);
+    sfree(&array[offset]);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 3d array with
+   1st index from n1lo to n1hi inclusive,
+   2nd index from n2lo to n2hi inclusive,
+   3rd index from n3lo to n3hi inclusive
+   cannot grow it
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  TYPE ***create3d_offset(TYPE ***&array, int n1lo, int n1hi, int n2lo, int n2hi, int n3lo,
+                          int n3hi, const char *name)
+  {
+    if (n1lo > n1hi || n2lo > n2hi || n3lo > n3hi) return nullptr;
+
+    int n1 = n1hi - n1lo + 1;
+    int n2 = n2hi - n2lo + 1;
+    int n3 = n3hi - n3lo + 1;
+    create(array, n1, n2, n3, name);
+
+    bigint m = ((bigint) n1) * n2;
+    for (bigint i = 0; i < m; i++) array[0][i] -= n3lo;
+    for (int i = 0; i < n1; i++) array[i] -= n2lo;
+    array -= n1lo;
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ****create3d_offset(TYPE ****& /*array*/, int /*n1lo*/, int /*n1hi*/, int /*n2lo*/,
+                           int /*n2hi*/, int /*n3lo*/, int /*n3hi*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   free a 3d array with all 3 indices offset
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  void destroy3d_offset(TYPE ***&array, int n1_offset, int n2_offset, int n3_offset)
+  {
+    if (array == nullptr) return;
+    sfree(&array[n1_offset][n2_offset][n3_offset]);
+    sfree(&array[n1_offset][n2_offset]);
+    sfree(&array[n1_offset]);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 4d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  TYPE ****create(TYPE ****&array, int n1, int n2, int n3, int n4, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2 <= 0 || n3 <= 0 || n4 <= 0) return nullptr;
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n1 * n2 * n3 * n4;
+    TYPE *data = (TYPE *) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1 * n2 * n3;
+    TYPE **cube = (TYPE **) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE **)) * n1 * n2;
+    TYPE ***plane = (TYPE ***) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE ***)) * n1;
+    array = (TYPE ****) smalloc(nbytes, name);
+
+    bigint i, j, k;
+    bigint m1, m2;
+    bigint n = 0;
+    for (i = 0; i < n1; i++) {
+      m2 = i * n2;
+      array[i] = &plane[m2];
+      for (j = 0; j < n2; j++) {
+        m1 = i * n2 + j;
+        m2 = i * n2 * n3 + j * n3;
+        plane[m1] = &cube[m2];
+        for (k = 0; k < n3; k++) {
+          m1 = i * n2 * n3 + j * n3 + k;
+          cube[m1] = &data[n];
+          n += n4;
+        }
+      }
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE *****create(TYPE *****& /*array*/, int /*n1*/, int /*n2*/, int /*n3*/, int /*n4*/,
+                   const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+  grow or shrink 1st dim of a 4d array
+  last 3 dims must stay the same
+  ------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  TYPE ****grow(TYPE ****&array, int n1, int n2, int n3, int n4, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2 <= 0 || n3 <= 0 || n4 <= 0) {
+    //  destroy(array);
+    //  return nullptr;
+    // }
+
+    if (array == nullptr) return create(array, n1, n2, n3, n4, name);
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n1 * n2 * n3 * n4;
+    TYPE *data = (TYPE *) srealloc(array[0][0][0], nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1 * n2 * n3;
+    TYPE **cube = (TYPE **) srealloc(array[0][0], nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE **)) * n1 * n2;
+    TYPE ***plane = (TYPE ***) srealloc(array[0], nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE ***)) * n1;
+    array = (TYPE ****) srealloc(array, nbytes, name);
+
+    int i, j, k;
+    bigint m1, m2;
+    bigint n = 0;
+    for (i = 0; i < n1; i++) {
+      m2 = ((bigint) i) * n2;
+      array[i] = &plane[m2];
+      for (j = 0; j < n2; j++) {
+        m1 = ((bigint) i) * n2 + j;
+        m2 = ((bigint) i) * n2 * n3 + j * n3;
+        plane[m1] = &cube[m2];
+        for (k = 0; k < n3; k++) {
+          m1 = ((bigint) i) * n2 * n3 + j * n3 + k;
+          cube[m1] = &data[n];
+          n += n4;
+        }
+      }
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE *****grow(TYPE *****& /*array*/, int /*n1*/, int /*n2*/, int /*n3*/, int /*n4*/,
+                 const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   destroy a 4d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy(TYPE ****&array)
+  {
+    if (array == nullptr) return;
+    sfree(array[0][0][0]);
+    sfree(array[0][0]);
+    sfree(array[0]);
+    sfree(array);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 4d array with indices
+   2nd index from n2lo to n2hi inclusive
+   3rd index from n3lo to n3hi inclusive
+   4th index from n4lo to n4hi inclusive
+   cannot grow it
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  TYPE ****create4d_offset(TYPE ****&array, int n1, int n2lo, int n2hi, int n3lo, int n3hi,
+                           int n4lo, int n4hi, const char *name)
+  {
+    if (n1 <= 0 || n2lo > n2hi || n3lo > n3hi || n4lo > n4hi) return nullptr;
+
+    int n2 = n2hi - n2lo + 1;
+    int n3 = n3hi - n3lo + 1;
+    int n4 = n4hi - n4lo + 1;
+    create(array, n1, n2, n3, n4, name);
+
+    bigint m = ((bigint) n1) * n2 * n3;
+    for (bigint i = 0; i < m; i++) array[0][0][i] -= n4lo;
+    m = ((bigint) n1) * n2;
+    for (bigint i = 0; i < m; i++) array[0][i] -= n3lo;
+    for (int i = 0; i < n1; i++) array[i] -= n2lo;
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ****create4d_offset(TYPE *****& /*array*/, int /*n1*/, int /*n2lo*/, int /*n2hi*/,
+                           int /*n3lo*/, int /*n3hi*/, int /*n4lo*/, int /*n4hi*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   free a 4d array with indices 2,3,4 offset
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  void destroy4d_offset(TYPE ****&array, int n2_offset, int n3_offset, int n4_offset)
+  {
+    if (array == nullptr) return;
+    sfree(&array[0][n2_offset][n3_offset][n4_offset]);
+    sfree(&array[0][n2_offset][n3_offset]);
+    sfree(&array[0][n2_offset]);
+    sfree(array);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   create a 5d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+  TYPE *****create(TYPE *****&array, int n1, int n2, int n3, int n4, int n5, const char *name)
+  {
+    // POSSIBLE future change
+    //if (n1 <= 0 || n2 <= 0 || n3 <= 0 || n4 <= 0 || n5 <= 0) return nullptr;
+
+    bigint nbytes = ((bigint) sizeof(TYPE)) * n1 * n2 * n3 * n4 * n5;
+    TYPE *data = (TYPE *) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE *)) * n1 * n2 * n3 * n4;
+    TYPE **level4 = (TYPE **) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE **)) * n1 * n2 * n3;
+    TYPE ***level3 = (TYPE ***) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE ***)) * n1 * n2;
+    TYPE ****level2 = (TYPE ****) smalloc(nbytes, name);
+    nbytes = ((bigint) sizeof(TYPE ****)) * n1;
+    array = (TYPE *****) smalloc(nbytes, name);
+
+    int i, j, k, l;
+    bigint m1, m2;
+    bigint n = 0;
+    for (i = 0; i < n1; i++) {
+      m2 = ((bigint) i) * n2;
+      array[i] = &level2[m2];
+      for (j = 0; j < n2; j++) {
+        m1 = ((bigint) i) * n2 + j;
+        m2 = ((bigint) i) * n2 * n3 + ((bigint) j) * n3;
+        level2[m1] = &level3[m2];
+        for (k = 0; k < n3; k++) {
+          m1 = ((bigint) i) * n2 * n3 + ((bigint) j) * n3 + k;
+          m2 = ((bigint) i) * n2 * n3 * n4 + ((bigint) j) * n3 * n4 + ((bigint) k) * n4;
+          level3[m1] = &level4[m2];
+          for (l = 0; l < n4; l++) {
+            m1 = ((bigint) i) * n2 * n3 * n4 + ((bigint) j) * n3 * n4 + ((bigint) k) * n4 + l;
+            level4[m1] = &data[n];
+            n += n5;
+          }
+        }
+      }
+    }
+    return array;
+  }
+
+  template <typename TYPE>
+  TYPE ******create(TYPE ******& /*array*/, int /*n1*/, int /*n2*/, int /*n3*/, int /*n4*/,
+                    int /*n5*/, const char *name)
+  {
+    fail(name);
+    return nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   destroy a 5d array
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> void destroy(TYPE *****&array)
+  {
+    if (array == nullptr) return;
+    sfree(array[0][0][0][0]);
+    sfree(array[0][0][0]);
+    sfree(array[0][0]);
+    sfree(array[0]);
+    sfree(array);
+    array = nullptr;
+  }
+
+  /* ----------------------------------------------------------------------
+   memory usage of arrays, including pointers
+------------------------------------------------------------------------- */
+
+  template <typename TYPE> double usage(TYPE *array, int n)
+  {
+    (void) array;
+    double bytes = ((double) sizeof(TYPE)) * n;
+    return bytes;
+  }
+
+  template <typename TYPE> double usage(TYPE **array, int n1, int n2)
+  {
+    (void) array;
+    double bytes = ((double) sizeof(TYPE)) * n1 * n2;
+    bytes += ((double) sizeof(TYPE *)) * n1;
+    return bytes;
+  }
+
+  template <typename TYPE> double usage(TYPE ***array, int n1, int n2, int n3)
+  {
+    (void) array;
+    double bytes = ((double) sizeof(TYPE)) * n1 * n2 * n3;
+    bytes += ((double) sizeof(TYPE *)) * n1 * n2;
+    bytes += ((double) sizeof(TYPE **)) * n1;
+    return bytes;
+  }
+
+  template <typename TYPE> double usage(TYPE ****array, int n1, int n2, int n3, int n4)
+  {
+    (void) array;
+    double bytes = ((double) sizeof(TYPE)) * n1 * n2 * n3 * n4;
+    bytes += ((double) sizeof(TYPE *)) * n1 * n2 * n3;
+    bytes += ((double) sizeof(TYPE **)) * n1 * n2;
+    bytes += ((double) sizeof(TYPE ***)) * n1;
+    return bytes;
+  }
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/modify.h b/doc/includes/lammps/modify.h
new file mode 100644
index 0000000000..820b957033
--- /dev/null
+++ b/doc/includes/lammps/modify.h
@@ -0,0 +1,218 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_MODIFY_H
+#define LMP_MODIFY_H
+
+#include "pointers.h"
+
+#include <map>
+#include <vector>
+
+namespace LAMMPS_NS {
+
+class Compute;
+class Fix;
+
+class Modify : protected Pointers {
+  friend class Info;
+  friend class FixSRP;
+  friend class Respa;
+  friend class RespaOMP;
+
+ public:
+  int n_initial_integrate, n_post_integrate, n_pre_exchange;
+  int n_pre_neighbor, n_post_neighbor;
+  int n_pre_force, n_pre_reverse, n_post_force_any;
+  int n_final_integrate, n_end_of_step;
+  int n_energy_couple, n_energy_global, n_energy_atom;
+  int n_initial_integrate_respa, n_post_integrate_respa;
+  int n_pre_force_respa, n_post_force_respa_any, n_final_integrate_respa;
+  int n_min_pre_exchange, n_min_pre_neighbor, n_min_post_neighbor;
+  int n_min_pre_force, n_min_pre_reverse, n_min_post_force, n_min_energy;
+
+  int restart_pbc_any;         // 1 if any fix sets restart_pbc
+  int nfix_restart_global;     // stored fix global info from restart file
+  int nfix_restart_peratom;    // stored fix peratom info from restart file
+
+  int nfix, maxfix;
+  Fix **fix;     // list of fixes
+  int *fmask;    // bit mask for when each fix is applied
+
+  int ncompute, maxcompute;
+  Compute **compute;    // list of computes
+
+  Modify(class LAMMPS *);
+  ~Modify() override;
+  virtual void init();
+  virtual void setup(int);
+  virtual void setup_pre_exchange();
+  virtual void setup_pre_neighbor();
+  virtual void setup_post_neighbor();
+  virtual void setup_pre_force(int);
+  virtual void setup_pre_reverse(int, int);
+  virtual void initial_integrate(int);
+  virtual void post_integrate();
+  virtual void pre_exchange();
+  virtual void pre_neighbor();
+  virtual void post_neighbor();
+  virtual void pre_force(int);
+  virtual void pre_reverse(int, int);
+  virtual void post_force(int);
+  virtual void final_integrate();
+  virtual void end_of_step();
+  virtual double energy_couple();
+  virtual double energy_global();
+  virtual void energy_atom(int, double *);
+  virtual void post_run();
+  virtual void create_attribute(int);
+
+  virtual void setup_pre_force_respa(int, int);
+  virtual void initial_integrate_respa(int, int, int);
+  virtual void post_integrate_respa(int, int);
+  virtual void pre_force_respa(int, int, int);
+  virtual void post_force_respa(int, int, int);
+  virtual void final_integrate_respa(int, int);
+
+  virtual void min_pre_exchange();
+  virtual void min_pre_neighbor();
+  virtual void min_post_neighbor();
+  virtual void min_pre_force(int);
+  virtual void min_pre_reverse(int, int);
+  virtual void min_post_force(int);
+
+  virtual double min_energy(double *);
+  virtual void min_store();
+  virtual void min_step(double, double *);
+  virtual void min_clearstore();
+  virtual void min_pushstore();
+  virtual void min_popstore();
+  virtual double max_alpha(double *);
+  virtual int min_dof();
+  virtual int min_reset_ref();
+
+  Fix *add_fix(int, char **, int trysuffix = 1);
+  Fix *add_fix(const std::string &, int trysuffix = 1);
+  Fix *replace_fix(const char *, int, char **, int trysuffix = 1);
+  Fix *replace_fix(const std::string &, const std::string &, int trysuffix = 1);
+  void modify_fix(int, char **);
+  void delete_fix(const std::string &);
+  void delete_fix(int);
+
+  // deprecated API
+  int find_fix(const std::string &);
+  // new API
+  Fix *get_fix_by_id(const std::string &) const;
+  Fix *get_fix_by_index(int idx) const { return ((idx >= 0) && (idx < nfix)) ? fix[idx] : nullptr; }
+  const std::vector<Fix *> get_fix_by_style(const std::string &) const;
+  const std::vector<Fix *> &get_fix_list();
+
+  Compute *add_compute(int, char **, int trysuffix = 1);
+  Compute *add_compute(const std::string &, int trysuffix = 1);
+  void modify_compute(int, char **);
+  void delete_compute(const std::string &);
+  void delete_compute(int);
+
+  // deprecated API
+  int find_compute(const std::string &);
+  // new API
+  Compute *get_compute_by_id(const std::string &) const;
+  Compute *get_compute_by_index(int idx) const
+  {
+    return ((idx >= 0) && (idx < ncompute)) ? compute[idx] : nullptr;
+  }
+  const std::vector<Compute *> get_compute_by_style(const std::string &) const;
+  const std::vector<Compute *> &get_compute_list();
+
+  void clearstep_compute();
+  void addstep_compute(bigint);
+  void addstep_compute_all(bigint);
+
+  int check_package(const char *);
+  int check_rigid_group_overlap(int);
+  int check_rigid_region_overlap(int, class Region *);
+  int check_rigid_list_overlap(int *);
+
+  void write_restart(FILE *);
+  int read_restart(FILE *);
+  void restart_deallocate(int);
+
+  double memory_usage();
+
+ protected:
+  // internal fix counts
+
+  int n_post_force, n_post_force_group, n_post_force_respa;
+
+  // lists of fixes to apply at different stages of timestep
+
+  int *list_initial_integrate, *list_post_integrate;
+  int *list_pre_exchange, *list_pre_neighbor, *list_post_neighbor;
+  int *list_pre_force, *list_pre_reverse;
+  int *list_post_force, *list_post_force_group;
+  int *list_final_integrate, *list_end_of_step;
+  int *list_energy_couple, *list_energy_global, *list_energy_atom;
+  int *list_initial_integrate_respa, *list_post_integrate_respa;
+  int *list_pre_force_respa, *list_post_force_respa;
+  int *list_final_integrate_respa;
+  int *list_min_pre_exchange, *list_min_pre_neighbor, *list_min_post_neighbor;
+  int *list_min_pre_force, *list_min_pre_reverse, *list_min_post_force;
+  int *list_min_energy;
+
+  int *end_of_step_every;
+
+  int n_timeflag;    // list of computes that store time invocation
+  int *list_timeflag;
+
+  char **id_restart_global;       // stored fix global info
+  char **style_restart_global;    // from read-in restart file
+  char **state_restart_global;
+  int *used_restart_global;
+
+  char **id_restart_peratom;       // stored fix peratom info
+  char **style_restart_peratom;    // from read-in restart file
+  int *index_restart_peratom;
+  int *used_restart_peratom;
+
+  int index_permanent;    // fix/compute index returned to library call
+
+  // vectors to be used for new-API accessors as wrapper
+  std::vector<Fix *> fix_list;
+  std::vector<Compute *> compute_list;
+
+  void list_init(int, int &, int *&);
+  void list_init_end_of_step(int, int &, int *&);
+  void list_init_energy_couple(int &, int *&);
+  void list_init_energy_global(int &, int *&);
+  void list_init_energy_atom(int &, int *&);
+  void list_init_post_force_group(int &, int *&);
+  void list_init_post_force_respa_group(int &, int *&);
+  void list_init_dofflag(int &, int *&);
+  void list_init_compute();
+
+ public:
+  typedef Compute *(*ComputeCreator)(LAMMPS *, int, char **);
+  typedef std::map<std::string, ComputeCreator> ComputeCreatorMap;
+  ComputeCreatorMap *compute_map;
+
+  typedef Fix *(*FixCreator)(LAMMPS *, int, char **);
+  typedef std::map<std::string, FixCreator> FixCreatorMap;
+  FixCreatorMap *fix_map;
+
+ protected:
+  void create_factories();
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/neigh_list.h b/doc/includes/lammps/neigh_list.h
new file mode 100644
index 0000000000..abd9b8205e
--- /dev/null
+++ b/doc/includes/lammps/neigh_list.h
@@ -0,0 +1,116 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_NEIGH_LIST_H
+#define LMP_NEIGH_LIST_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class NeighList : protected Pointers {
+ public:
+  enum RequestorType { NONE, PAIR, FIX, COMPUTE };
+  void *requestor;                 // object that made request
+  RequestorType requestor_type;    // type of requestor
+
+  int index;    // index of which neigh list this is
+                // also indexes the request it came from
+                // and the npair list of NPair classes
+
+  int bin_method;        // 0 if no binning, else 1-N index into binnames
+  int stencil_method;    // 0 if no stencil, else 1-N index into stencilnames
+  int pair_method;       // 0 if no pair, else 1-N index into pairnames
+
+  // settings from NeighRequest
+
+  int occasional;     // 0 if build every reneighbor, 1 if not
+  int ghost;          // 1 if list stores neighbors of ghosts
+  int ssa;            // 1 if list stores Shardlow data
+  int history;        // 1 if there is neigh history (FixNeighHist)
+  int respaouter;     // 1 if list is a rRespa outer list
+  int respamiddle;    // 1 if there is also a rRespa middle list
+  int respainner;     // 1 if there is also a rRespa inner list
+  int copy;           // 1 if this list is copied from another list
+  int kk2cpu;         // 1 if this list is copied from Kokkos to CPU
+  int copymode;       // 1 if this is a Kokkos on-device copy
+  int id;             // copied from neighbor list request
+
+  // data structs to store neighbor pairs I,J and associated values
+
+  int inum;            // # of I atoms neighbors are stored for
+  int gnum;            // # of ghost atoms neighbors are stored for
+  int *ilist;          // local indices of I atoms
+  int *numneigh;       // # of J neighbors for each I atom
+  int **firstneigh;    // ptr to 1st J int value of each I atom
+  int maxatom;         // size of allocated per-atom arrays
+
+  int pgsize;            // size of each page
+  int oneatom;           // max size for one atom
+  MyPage<int> *ipage;    // pages of neighbor indices
+
+  // data structs to store rRESPA neighbor pairs I,J and associated values
+
+  int inum_inner;            // # of I atoms neighbors are stored for
+  int gnum_inner;            // # of ghost atoms neighbors are stored for
+  int *ilist_inner;          // local indices of I atoms
+  int *numneigh_inner;       // # of J neighbors for each I atom
+  int **firstneigh_inner;    // ptr to 1st J int value of each I atom
+
+  int inum_middle;            // # of I atoms neighbors are stored for
+  int gnum_middle;            // # of ghost atoms neighbors are stored for
+  int *ilist_middle;          // local indices of I atoms
+  int *numneigh_middle;       // # of J neighbors for each I atom
+  int **firstneigh_middle;    // ptr to 1st J int value of each I atom
+
+  MyPage<int> *ipage_inner;     // pages of neighbor indices for inner
+  MyPage<int> *ipage_middle;    // pages of neighbor indices for middle
+
+  // atom types to skip when building list
+  // copied info from corresponding request into realloced vec/array
+
+  int *iskip;      // iskip[i] = 1 if atoms of type I are not in list
+  int **ijskip;    // ijskip[i][j] = 1 if pairs of type I,J are not in list
+
+  // settings and pointers for related neighbor lists and fixes
+
+  NeighList *listcopy;    // me = copy list, point to list I copy from
+  NeighList *listskip;    // me = skip list, point to list I skip from
+  NeighList *listfull;    // me = half list, point to full I derive from
+
+  class Fix *fix_bond;    // fix that stores bond info
+
+  // Kokkos package
+
+  int kokkos;    // 1 if list stores Kokkos data
+  ExecutionSpace execution_space;
+
+  // DPD-REACT package and Shardlow Splitting Algorithm (SSA) support
+
+  class NPair *np;    // ptr to NPair instance I depend on
+
+  // methods
+
+  NeighList(class LAMMPS *);
+  ~NeighList() override;
+  void post_constructor(class NeighRequest *);
+  void setup_pages(int, int);    // setup page data structures
+  void grow(int, int);           // grow all data structs
+  void print_attributes();       // debug routine
+  int get_maxlocal() { return maxatom; }
+  double memory_usage();
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/neighbor.h b/doc/includes/lammps/neighbor.h
new file mode 100644
index 0000000000..3492693766
--- /dev/null
+++ b/doc/includes/lammps/neighbor.h
@@ -0,0 +1,346 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_NEIGHBOR_H
+#define LMP_NEIGHBOR_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+// forward declarations
+class NeighRequest;
+class NeighList;
+
+class Neighbor : protected Pointers {
+ public:
+  enum { NSQ, BIN, MULTI_OLD, MULTI };
+  int style;           // 0,1,2,3 = nsq, bin, multi/old, multi
+  int every;           // build every this many steps
+  int delay;           // delay build for this many steps
+  int dist_check;      // 0 = always build, 1 = only if 1/2 dist
+  int ago;             // how many steps ago neighboring occurred
+  int pgsize;          // size of neighbor page
+  int oneatom;         // max # of neighbors for one atom
+  int includegroup;    // only build pairwise lists for this group
+  int build_once;      // 1 if only build lists once per run
+
+  double skin;                    // skin distance
+  double cutneighmin;             // min neighbor cutoff for all type pairs
+  double cutneighmax;             // max neighbor cutoff for all type pairs
+  double cutneighmaxsq;           // cutneighmax squared
+  double **cutneighsq;            // neighbor cutneigh sq for each type pair
+  double **cutneighghostsq;       // cutneigh sq for each ghost type pair
+  double *cuttype;                // for each type, max neigh cut w/ others
+  double *cuttypesq;              // cuttype squared
+  double cut_inner_sq;            // outer cutoff for inner neighbor list
+  double cut_middle_sq;           // outer cutoff for middle neighbor list
+  double cut_middle_inside_sq;    // inner cutoff for middle neighbor list
+
+  int binsizeflag;        // user-chosen bin size
+  double binsize_user;    // set externally by some accelerator pkgs
+
+  bigint ncalls;      // # of times build has been called
+  bigint ndanger;     // # of dangerous builds
+  bigint lastcall;    // timestep of last neighbor::build() call
+
+  // geometry and static info, used by other Neigh classes
+
+  double *bboxlo, *bboxhi;    // ptrs to full domain bounding box
+                              // different for orthog vs triclinic
+
+  // exclusion info, used by NeighPair
+
+  int exclude;    // 0 if no type/group exclusions, 1 if yes
+
+  int nex_type;                // # of entries in type exclusion list
+  int *ex1_type, *ex2_type;    // pairs of types to exclude
+  int **ex_type;               // 2d array of excluded type pairs
+
+  int nex_group;                 // # of entries in group exclusion list
+  int *ex1_group, *ex2_group;    // pairs of group #'s to exclude
+  int *ex1_bit, *ex2_bit;        // pairs of group bits to exclude
+
+  int nex_mol;          // # of entries in molecule exclusion list
+  int *ex_mol_group;    // molecule group #'s to exclude
+  int *ex_mol_bit;      // molecule group bits to exclude
+  int *ex_mol_intra;    // 0 = exclude if in 2 molecules (inter)
+                        // 1 = exclude if in same molecule (intra)
+
+  // special info, used by NeighPair
+
+  int special_flag[4];    // flags for 1-2, 1-3, 1-4 neighbors
+
+  // cluster setting, used by NeighTopo
+
+  int cluster_check;    // 1 if check bond/angle/etc satisfies minimg
+
+  // pairwise neighbor lists and corresponding requests
+
+  int nlist;           // # of pairwise neighbor lists
+  int nrequest;        // # of requests, same as nlist
+  int old_nrequest;    // # of requests for previous run
+
+  NeighList **lists;
+  NeighRequest **requests;        // from Pair,Fix,Compute,Command classes
+  NeighRequest **old_requests;    // copy of requests to compare to
+
+  // data from topology neighbor lists
+
+  int nbondlist;    // list of bonds to compute
+  int **bondlist;
+  int nanglelist;    // list of angles to compute
+  int **anglelist;
+  int ndihedrallist;    // list of dihedrals to compute
+  int **dihedrallist;
+  int nimproperlist;    // list of impropers to compute
+  int **improperlist;
+
+  // optional type grouping for multi
+
+  int custom_collection_flag;      // 1 if custom collections are defined for multi
+  int interval_collection_flag;    // 1 if custom collections use intervals
+  int finite_cut_flag;             // 1 if multi considers finite atom size
+  int ncollections;                // # of custom collections
+  int nmax_collection;             // maximum atoms stored in collection array
+  int *type2collection;            // ntype array mapping types to custom collections
+  double *collection2cut;          // ncollection array with upper bounds on cutoff intervals
+  double **cutcollectionsq;        // cutoffs for each combination of collections
+  int *collection;                 // local per-atom array to store collection id
+
+  // public methods
+
+  Neighbor(class LAMMPS *);
+  ~Neighbor() override;
+  virtual void init();
+
+  // old API for creating neighbor list requests
+  int request(void *, int instance = 0);
+
+  // new API for creating neighbor list requests
+  NeighRequest *add_request(class Pair *, int flags = 0);
+  NeighRequest *add_request(class Fix *, int flags = 0);
+  NeighRequest *add_request(class Compute *, int flags = 0);
+  NeighRequest *add_request(class Command *, const char *, int flags = 0);
+
+  // set neighbor list request OpenMP flag
+  void set_omp_neighbor(int);
+
+  // report if we have INTEL package neighbor lists
+  bool has_intel_request() const;
+
+  int decide();                     // decide whether to build or not
+  virtual int check_distance();     // check max distance moved since last build
+  void setup_bins();                // setup bins based on box and cutoff
+  virtual void build(int);          // build all perpetual neighbor lists
+  virtual void build_topology();    // pairwise topology neighbor lists
+  // create a one-time pairwise neigh list
+  void build_one(class NeighList *list, int preflag = 0);
+  void set(int, char **);                     // set neighbor style and skin distance
+  void reset_timestep(bigint);                // reset of timestep counter
+  void modify_params(int, char **);           // modify params that control builds
+  void modify_params(const std::string &);    // convenience overload
+
+  void exclusion_group_group_delete(int, int);    // rm a group-group exclusion
+  int exclude_setting();                          // return exclude value to accelerator pkg
+
+  // find a neighbor list based on requestor
+  NeighList *find_list(void *, const int id = 0) const;
+  // find a neighbor request based on requestor
+  NeighRequest *find_request(void *, const int id = 0) const;
+
+  const std::vector<NeighRequest *> get_pair_requests() const;
+  int any_full();                // Check if any old requests had full neighbor lists
+  void build_collection(int);    // build peratom collection array starting at the given index
+
+  bigint get_nneigh_full();    // return number of neighbors in a regular full neighbor list
+  bigint get_nneigh_half();    // return number of neighbors in a regular half neighbor list
+  double memory_usage();
+
+  bigint last_setup_bins;    // step of last neighbor::setup_bins() call
+
+ protected:
+  int me, nprocs;
+  int firsttime;    // flag for calling init_styles() only once
+
+  int dimension;      // 2/3 for 2d/3d
+  int triclinic;      // 0 if domain is orthog, 1 if triclinic
+  int newton_pair;    // 0 if newton off for pairwise, 1 if on
+
+  int must_check;       // 1 if must check other classes to reneigh
+  int restart_check;    // 1 if restart enabled, 0 if no
+  int fix_check;        // # of fixes that induce reneigh
+  int *fixchecklist;    // which fixes to check
+
+  double triggersq;    // trigger = build when atom moves this dist
+
+  double **xhold;    // atom coords at last neighbor build
+  int maxhold;       // size of xhold array
+
+  int boxcheck;                           // 1 if need to store box size
+  double boxlo_hold[3], boxhi_hold[3];    // box size at last neighbor build
+  double corners_hold[8][3];              // box corners at last neighbor build
+  double (*corners)[3];                   // ptr to 8 corners of triclinic box
+
+  double inner[2], middle[2];    // rRESPA cutoffs for extra lists
+
+  int old_style, old_triclinic;    // previous run info
+  int old_pgsize, old_oneatom;     // used to avoid re-creating neigh lists
+
+  int nstencil_perpetual;    // # of perpetual NeighStencil classes
+  int npair_perpetual;       // #x of perpetual NeighPair classes
+  int *slist;                // indices of them in neigh_stencil
+  int *plist;                // indices of them in neigh_pair
+
+  int maxex_type;     // max # in exclusion type list
+  int maxex_group;    // max # in exclusion group list
+  int maxex_mol;      // max # in exclusion molecule list
+
+  int maxatom;       // max size of atom-based NeighList arrays
+  int maxrequest;    // max size of NeighRequest list
+
+  // info for other Neigh classes: NBin,NStencil,NPair,NTopo
+
+  int nbin, nstencil;
+  int nbclass, nsclass, npclass;
+  int bondwhich, anglewhich, dihedralwhich, improperwhich;
+
+  typedef class NBin *(*BinCreator)(class LAMMPS *);
+  BinCreator *binclass;
+  char **binnames;
+  int *binmasks;
+  class NBin **neigh_bin;
+
+  typedef class NStencil *(*StencilCreator)(class LAMMPS *);
+  StencilCreator *stencilclass;
+  char **stencilnames;
+  int *stencilmasks;
+  class NStencil **neigh_stencil;
+
+  typedef class NPair *(*PairCreator)(class LAMMPS *);
+  PairCreator *pairclass;
+  char **pairnames;
+  int *pairmasks;
+  class NPair **neigh_pair;
+
+  class NTopo *neigh_bond;
+  class NTopo *neigh_angle;
+  class NTopo *neigh_dihedral;
+  class NTopo *neigh_improper;
+
+  // internal methods
+  // including creator methods for Nbin,Nstencil,Npair instances
+
+  void init_styles();
+  int init_pair();
+  virtual void init_topology();
+
+  void morph_unique();
+  void morph_skip();
+  void morph_granular();
+  void morph_halffull();
+  void morph_copy();
+
+  void print_pairwise_info();
+  void requests_new2old();
+
+  int choose_bin(class NeighRequest *);
+  int choose_stencil(class NeighRequest *);
+  int choose_pair(class NeighRequest *);
+
+  // dummy functions provided by NeighborKokkos, called in init()
+  // otherwise NeighborKokkos would have to overwrite init()
+
+  int copymode;
+
+  virtual void init_cutneighsq_kokkos(int) {}
+  virtual void create_kokkos_list(int) {}
+  virtual void init_ex_type_kokkos(int) {}
+  virtual void init_ex_bit_kokkos() {}
+  virtual void init_ex_mol_bit_kokkos() {}
+  virtual void grow_ex_mol_intra_kokkos() {}
+  virtual void set_binsize_kokkos() {}
+};
+
+namespace NeighConst {
+
+  enum {
+    NB_INTEL = 1 << 0,
+    NB_KOKKOS_DEVICE = 1 << 1,
+    NB_KOKKOS_HOST = 1 << 2,
+    NB_SSA = 1 << 3,
+    NB_STANDARD = 1 << 4,
+    NB_MULTI = 1 << 5
+  };
+
+  enum {
+    NS_BIN = 1 << 0,
+    NS_MULTI = 1 << 1,
+    NS_HALF = 1 << 2,
+    NS_FULL = 1 << 3,
+    NS_2D = 1 << 4,
+    NS_3D = 1 << 5,
+    NS_ORTHO = 1 << 6,
+    NS_TRI = 1 << 7,
+    NS_GHOST = 1 << 8,
+    NS_SSA = 1 << 9,
+    NS_MULTI_OLD = 1 << 10
+  };
+
+  enum {
+    NP_NSQ = 1 << 0,
+    NP_BIN = 1 << 1,
+    NP_MULTI = 1 << 2,
+    NP_HALF = 1 << 3,
+    NP_FULL = 1 << 4,
+    NP_ORTHO = 1 << 5,
+    NP_TRI = 1 << 6,
+    NP_ATOMONLY = 1 << 7,
+    NP_MOLONLY = 1 << 8,
+    NP_NEWTON = 1 << 9,
+    NP_NEWTOFF = 1 << 10,
+    NP_GHOST = 1 << 11,
+    NP_SIZE = 1 << 12,
+    NP_ONESIDE = 1 << 13,
+    NP_RESPA = 1 << 14,
+    NP_BOND = 1 << 15,
+    NP_OMP = 1 << 16,
+    NP_INTEL = 1 << 17,
+    NP_KOKKOS_DEVICE = 1 << 18,
+    NP_KOKKOS_HOST = 1 << 19,
+    NP_SSA = 1 << 20,
+    NP_COPY = 1 << 21,
+    NP_SKIP = 1 << 22,
+    NP_HALF_FULL = 1 << 23,
+    NP_OFF2ON = 1 << 24,
+    NP_MULTI_OLD = 1 << 25
+  };
+
+  enum {
+    REQ_DEFAULT = 0,
+    REQ_FULL = 1 << 0,
+    REQ_GHOST = 1 << 1,
+    REQ_SIZE = 1 << 2,
+    REQ_HISTORY = 1 << 3,
+    REQ_OCCASIONAL = 1 << 4,
+    REQ_RESPA_INOUT = 1 << 5,
+    REQ_RESPA_ALL = 1 << 6,
+    REQ_NEWTON_ON = 1 << 8,
+    REQ_NEWTON_OFF = 1 << 9,
+    REQ_SSA = 1 << 10,
+  };
+}    // namespace NeighConst
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/output.h b/doc/includes/lammps/output.h
new file mode 100644
index 0000000000..c35d2728e5
--- /dev/null
+++ b/doc/includes/lammps/output.h
@@ -0,0 +1,102 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_OUTPUT_H
+#define LMP_OUTPUT_H
+
+#include "pointers.h"
+
+#include <map>
+
+namespace LAMMPS_NS {
+
+class Dump;
+
+class Output : protected Pointers {
+ public:
+  bigint next;    // next timestep for any kind of output
+
+  bigint next_thermo;      // next timestep for thermo output
+  int thermo_every;        // output freq for thermo, 0 if first/last only
+  bigint last_thermo;      // last timestep thermo was output
+  char *var_thermo;        // variable name for thermo freq, null pointer if every
+  int ivar_thermo;         // variable index for thermo frequency
+  class Thermo *thermo;    // Thermodynamic computations
+
+  int ndump;                    // # of Dumps defined
+  int max_dump;                 // max size of Dump list
+  bigint next_dump_any;         // next timestep for any dump
+  bigint next_time_dump_any;    // next timestep for any time dump with computes
+  int any_time_dumps;           // 1 if any time dump defined
+  int *mode_dump;               // 0/1 if write every N timesteps or Delta in sim time
+  int *every_dump;              // dump every N timesteps, 0 if variable
+  double *every_time_dump;      // dump every Delta of sim time, 0.0 if variable
+  bigint *next_dump;            // next timestep to perform dump
+  double *next_time_dump;       // next simulation time to perform dump (mode = 1)
+  bigint *last_dump;            // last timestep each snapshot was output
+  char **var_dump;              // variable name for next dump (steps or sim time)
+  int *ivar_dump;               // variable index of var_dump name
+  Dump **dump;                  // list of defined Dumps
+
+  int restart_flag;               // 1 if any restart files are written
+  int restart_flag_single;        // 1 if single restart files are written
+  int restart_flag_double;        // 1 if double restart files are written
+  bigint next_restart;            // next timestep to write any restart file
+  bigint next_restart_single;     // next timestep to write a single restart file
+  bigint next_restart_double;     // next timestep to write a double restart file
+  int restart_every_single;       // single restart file write freq, 0 if var
+  int restart_every_double;       // double restart file write freq, 0 if var
+  bigint last_restart;            // last timestep any restart file was output
+  int restart_toggle;             // 0 if use restart2a as prefix, 1 if restart2b
+  char *var_restart_single;       // variable name for single restart freq
+  char *var_restart_double;       // variable name for double restart freq
+  int ivar_restart_single;        // index of var_restart_single
+  int ivar_restart_double;        // index of var_restart_double
+  char *restart1;                 // name single restart file
+  char *restart2a, *restart2b;    // names of double restart files
+  class WriteRestart *restart;    // class for writing restart files
+
+  typedef Dump *(*DumpCreator)(LAMMPS *, int, char **);
+  typedef std::map<std::string, DumpCreator> DumpCreatorMap;
+  DumpCreatorMap *dump_map;
+
+  Output(class LAMMPS *);
+  ~Output() override;
+  void init();
+  void setup(int memflag = 1);    // initial output before run/min
+  void write(bigint);             // output for current timestep
+  void write_dump(bigint);        // force output of dump snapshots
+  void write_restart(bigint);     // force output of a restart file
+  void reset_timestep(bigint);    // reset output which depends on timestep
+  void reset_dt();                // reset output which depends on timestep size
+
+  Dump *add_dump(int, char **);                 // add a Dump to Dump list
+  void modify_dump(int, char **);               // modify a Dump
+  void delete_dump(const std::string &);        // delete a Dump from Dump list
+  int find_dump(const char *);                  // find a Dump ID
+  Dump *get_dump_by_id(const std::string &);    // find a Dump by ID
+  int check_time_dumps(bigint);                 // check if any time dump is output now
+
+  void set_thermo(int, char **);        // set thermo output freqquency
+  void create_thermo(int, char **);     // create a thermo style
+  void create_restart(int, char **);    // create Restart and restart files
+
+  void memory_usage();    // print out memory usage
+
+ private:
+  void calculate_next_dump(int, int, bigint);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/pair.h b/doc/includes/lammps/pair.h
new file mode 100644
index 0000000000..4763a225d2
--- /dev/null
+++ b/doc/includes/lammps/pair.h
@@ -0,0 +1,295 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_PAIR_H
+#define LMP_PAIR_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Pair : protected Pointers {
+  friend class AngleSDK;
+  friend class AngleSDKOMP;
+  friend class BondQuartic;
+  friend class BondQuarticOMP;
+  friend class DihedralCharmm;
+  friend class DihedralCharmmOMP;
+  friend class FixGPU;
+  friend class FixIntel;
+  friend class FixOMP;
+  friend class FixQEq;
+  friend class PairHybrid;
+  friend class PairHybridScaled;
+  friend class ThrOMP;
+  friend class Info;
+  friend class Neighbor;
+
+ public:
+  static int instance_total;    // # of Pair classes ever instantiated
+
+  double eng_vdwl, eng_coul;    // accumulated energies
+  double virial[6];             // accumulated virial: xx,yy,zz,xy,xz,yz
+  double *eatom, **vatom;       // accumulated per-atom energy/virial
+  double **cvatom;              // accumulated per-atom centroid virial
+
+  double cutforce;    // max cutoff for all atom pairs
+  double **cutsq;     // cutoff sq for each atom pair
+  int **setflag;      // 0/1 = whether each i,j has been set
+
+  int comm_forward;        // size of forward communication (0 if none)
+  int comm_reverse;        // size of reverse communication (0 if none)
+  int comm_reverse_off;    // size of reverse comm even if newton off
+
+  int single_enable;              // 1 if single() routine exists
+  int born_matrix_enable;         // 1 if born_matrix() routine exists
+  int single_hessian_enable;      // 1 if single_hessian() routine exists
+  int restartinfo;                // 1 if pair style writes restart info
+  int respa_enable;               // 1 if inner/middle/outer rRESPA routines
+  int one_coeff;                  // 1 if allows only one coeff * * call
+  int manybody_flag;              // 1 if a manybody potential
+  int unit_convert_flag;          // value != 0 indicates support for unit conversion.
+  int no_virial_fdotr_compute;    // 1 if does not invoke virial_fdotr_compute()
+  int writedata;                  // 1 if writes coeffs to data file
+  int finitecutflag;              // 1 if cut depends on finite atom size
+  int ghostneigh;                 // 1 if pair style needs neighbors of ghosts
+  double **cutghost;              // cutoff for each ghost pair
+
+  int ewaldflag;         // 1 if compatible with Ewald solver
+  int pppmflag;          // 1 if compatible with PPPM solver
+  int msmflag;           // 1 if compatible with MSM solver
+  int dispersionflag;    // 1 if compatible with LJ/dispersion solver
+  int tip4pflag;         // 1 if compatible with TIP4P solver
+  int dipoleflag;        // 1 if compatible with dipole solver
+  int spinflag;          // 1 if compatible with spin solver
+  int reinitflag;        // 1 if compatible with fix adapt and alike
+
+  int centroidstressflag;    // centroid stress compared to two-body stress
+                             // CENTROID_SAME = same as two-body stress
+                             // CENTROID_AVAIL = different and implemented
+                             // CENTROID_NOTAVAIL = different, not yet implemented
+
+  int tail_flag;          // pair_modify flag for LJ tail correction
+  double etail, ptail;    // energy/pressure tail corrections
+  double etail_ij, ptail_ij;
+
+  int evflag;    // energy,virial settings
+  int eflag_either, eflag_global, eflag_atom;
+  int vflag_either, vflag_global, vflag_atom, cvflag_atom;
+
+  int ncoultablebits;    // size of Coulomb table, accessed by KSpace
+  int ndisptablebits;    // size of dispersion table
+  double tabinnersq;
+  double tabinnerdispsq;
+  double *rtable, *drtable, *ftable, *dftable, *ctable, *dctable;
+  double *etable, *detable, *ptable, *dptable, *vtable, *dvtable;
+  double *rdisptable, *drdisptable, *fdisptable, *dfdisptable;
+  double *edisptable, *dedisptable;
+  int ncoulshiftbits, ncoulmask;
+  int ndispshiftbits, ndispmask;
+
+  int nextra;         // # of extra quantities pair style calculates
+  double *pvector;    // vector of extra pair quantities
+
+  int single_extra;    // number of extra single values calculated
+  double *svector;     // vector of extra single quantities
+
+  class NeighList *list;        // standard neighbor list used by most pairs
+  class NeighList *listhalf;    // half list used by some pairs
+  class NeighList *listfull;    // full list used by some pairs
+
+  int allocated;       // 0/1 = whether arrays are allocated
+                       //       public so external driver can check
+  int compute_flag;    // 0 if skip compute()
+  int mixed_flag;      // 1 if all itype != jtype coeffs are from mixing
+  bool did_mix;        // set to true by mix_energy() to indicate that mixing was performed
+
+  enum { GEOMETRIC, ARITHMETIC, SIXTHPOWER };    // mixing options
+
+  int beyond_contact, nondefault_history_transfer;    // for granular styles
+
+  // KOKKOS host/device flag and data masks
+
+  ExecutionSpace execution_space;
+  unsigned int datamask_read, datamask_modify;
+  int kokkosable;    // 1 if Kokkos pair
+
+  Pair(class LAMMPS *);
+  ~Pair() override;
+
+  // top-level Pair methods
+
+  void init();
+  virtual void reinit();
+  virtual void setup() {}
+  double mix_energy(double, double, double, double);
+  double mix_distance(double, double);
+  void write_file(int, char **);
+  void init_bitmap(double, double, int, int &, int &, int &, int &);
+  virtual void modify_params(int, char **);
+  void compute_dummy(int, int);
+
+  // need to be public, so can be called by pair_style reaxc
+
+  void ev_tally(int, int, int, int, double, double, double, double, double, double);
+  void ev_tally3(int, int, int, double, double, double *, double *, double *, double *);
+  void v_tally2_newton(int, double *, double *);
+  void v_tally3(int, int, int, double *, double *, double *, double *);
+  void v_tally4(int, int, int, int, double *, double *, double *, double *, double *, double *);
+
+  // general child-class methods
+
+  virtual void compute(int, int) = 0;
+  virtual void compute_inner() {}
+  virtual void compute_middle() {}
+  virtual void compute_outer(int, int) {}
+
+  virtual double single(int, int, int, int, double, double, double, double &fforce)
+  {
+    fforce = 0.0;
+    return 0.0;
+  }
+
+  void hessian_twobody(double fforce, double dfac, double delr[3], double phiTensor[6]);
+
+  virtual double single_hessian(int, int, int, int, double, double[3], double, double,
+                                double &fforce, double d2u[6])
+  {
+    fforce = 0.0;
+    for (int i = 0; i < 6; i++) d2u[i] = 0;
+    return 0.0;
+  }
+
+  virtual void born_matrix(int /*i*/, int /*j*/, int /*itype*/, int /*jtype*/, double /*rsq*/,
+                           double /*factor_coul*/, double /*factor_lj*/, double &du, double &du2)
+  {
+    du = du2 = 0.0;
+  }
+
+  virtual void settings(int, char **) = 0;
+  virtual void coeff(int, char **) = 0;
+
+  virtual void init_style();
+  virtual void init_list(int, class NeighList *);
+  virtual double init_one(int, int) { return 0.0; }
+
+  virtual void init_tables(double, double *);
+  virtual void init_tables_disp(double);
+  virtual void free_tables();
+  virtual void free_disp_tables();
+
+  virtual void write_restart(FILE *);
+  virtual void read_restart(FILE *);
+  virtual void write_restart_settings(FILE *) {}
+  virtual void read_restart_settings(FILE *) {}
+  virtual void write_data(FILE *) {}
+  virtual void write_data_all(FILE *) {}
+
+  virtual int pack_forward_comm(int, int *, double *, int, int *) { return 0; }
+  virtual void unpack_forward_comm(int, int, double *) {}
+  virtual int pack_reverse_comm(int, int, double *) { return 0; }
+  virtual void unpack_reverse_comm(int, int *, double *) {}
+  virtual double memory_usage();
+
+  void set_copymode(int value) { copymode = value; }
+
+  // specific child-class methods for certain Pair styles
+
+  virtual void *extract(const char *, int &) { return nullptr; }
+  virtual void swap_eam(double *, double **) {}
+  virtual void reset_dt() {}
+  virtual void min_xf_pointers(int, double **, double **) {}
+  virtual void min_xf_get(int) {}
+  virtual void min_x_set(int) {}
+  virtual void transfer_history(double *, double *) {}
+  virtual double atom2cut(int) { return 0.0; }
+  virtual double radii2cut(double, double) { return 0.0; }
+
+  // management of callbacks to be run from ev_tally()
+
+ protected:
+  int num_tally_compute;
+  class Compute **list_tally_compute;
+
+ public:
+  virtual void add_tally_callback(class Compute *);
+  virtual void del_tally_callback(class Compute *);
+
+ protected:
+  int instance_me;      // which Pair class instantiation I am
+  int special_lj[4];    // copied from force->special_lj for Kokkos
+  int suffix_flag;      // suffix compatibility flag
+
+  // pair_modify settings
+  int offset_flag, mix_flag;    // flags for offset and mixing
+  double tabinner;              // inner cutoff for Coulomb table
+  double tabinner_disp;         // inner cutoff for dispersion table
+
+ protected:
+  // for mapping of elements to atom types and parameters
+  // mostly used for manybody potentials
+  int nelements;        // # of unique elements
+  char **elements;      // names of unique elements
+  int *elem1param;      // mapping from elements to parameters
+  int **elem2param;     // mapping from element pairs to parameters
+  int ***elem3param;    // mapping from element triplets to parameters
+  int *map;             // mapping from atom types to elements
+  int nparams;          // # of stored parameter sets
+  int maxparam;         // max # of parameter sets
+  void map_element2type(int, char **, bool update_setflag = true);
+
+ public:
+  // custom data type for accessing Coulomb tables
+
+  typedef union {
+    int i;
+    float f;
+  } union_int_float_t;
+
+  // Accessor for the INTEL package to determine virial calc for hybrid
+
+  inline int fdotr_is_set() const { return vflag_fdotr; }
+
+ protected:
+  int vflag_fdotr;
+  int maxeatom, maxvatom, maxcvatom;
+
+  int copymode;    // if set, do not deallocate during destruction
+                   // required when classes are used as functors by Kokkos
+
+  void ev_init(int eflag, int vflag, int alloc = 1)
+  {
+    if (eflag || vflag)
+      ev_setup(eflag, vflag, alloc);
+    else
+      ev_unset();
+  }
+  virtual void ev_setup(int, int, int alloc = 1);
+  void ev_unset();
+  void ev_tally_full(int, double, double, double, double, double, double);
+  void ev_tally_xyz_full(int, double, double, double, double, double, double, double, double);
+  void ev_tally4(int, int, int, int, double, double *, double *, double *, double *, double *,
+                 double *);
+  void ev_tally_tip4p(int, int *, double *, double, double);
+  void ev_tally_xyz(int, int, int, int, double, double, double, double, double, double, double,
+                    double);
+  void v_tally2(int, int, double, double *);
+  void v_tally_tensor(int, int, int, int, double, double, double, double, double, double);
+  void virial_fdotr_compute();
+
+  inline int sbmask(int j) const { return j >> SBBITS & 3; }
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/pointers.h b/doc/includes/lammps/pointers.h
new file mode 100644
index 0000000000..5f82872514
--- /dev/null
+++ b/doc/includes/lammps/pointers.h
@@ -0,0 +1,134 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+// clang-format off
+
+// Pointers class contains ptrs to master copy of
+//   fundamental LAMMPS class ptrs stored in lammps.h
+// every LAMMPS class inherits from Pointers to access lammps.h ptrs
+// these variables are auto-initialized by Pointer class constructor
+// *& variables are really pointers to the pointers in lammps.h
+// & enables them to be accessed directly in any class, e.g. atom->x
+
+#ifndef LMP_POINTERS_H
+#define LMP_POINTERS_H
+
+#include "lmptype.h"    // IWYU pragma: export
+
+#include <mpi.h>        // IWYU pragma: export
+#include <cstddef>      // IWYU pragme: export
+#include <cstdio>       // IWYU pragma: export
+#include <string>       // IWYU pragma: export
+
+#include "fmt/format.h" // IWYU pragma: export
+#include "lammps.h"     // IWYU pragma: export
+#include "platform.h"   // IWYU pragma: export
+#include "utils.h"      // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+// universal defines inside namespace
+
+#define FLERR __FILE__,__LINE__
+
+#define MIN(A,B) ((A) < (B) ? (A) : (B))
+#define MAX(A,B) ((A) > (B) ? (A) : (B))
+
+// enum used for KOKKOS host/device flags
+
+enum ExecutionSpace{ Host, Device };
+
+// global forward declarations
+
+template <class T> class MyPoolChunk;
+template <class T> class MyPage;
+
+/** \class LAMMPS_NS::Pointers
+ * \brief Base class for LAMMPS features
+ *
+ * The Pointers class contains references to many of the pointers
+ * and members of the LAMMPS_NS::LAMMPS class. Derived classes thus
+ * gain access to the constituent class instances in the LAMMPS
+ * composite class and thus to the core functionality of LAMMPS.
+ *
+ * This kind of construct is needed, since the LAMMPS constructor
+ * should only be run once per LAMMPS instance and thus classes
+ * cannot be derived from LAMMPS itself. The Pointers class
+ * constructor instead only initializes C++ references to component
+ * pointer in the LAMMPS class. */
+
+class Pointers {
+ public:
+  Pointers(LAMMPS *ptr) :
+    lmp(ptr),
+    memory(ptr->memory),
+    error(ptr->error),
+    universe(ptr->universe),
+    input(ptr->input),
+    atom(ptr->atom),
+    update(ptr->update),
+    neighbor(ptr->neighbor),
+    comm(ptr->comm),
+    domain(ptr->domain),
+    force(ptr->force),
+    modify(ptr->modify),
+    group(ptr->group),
+    output(ptr->output),
+    timer(ptr->timer),
+    world(ptr->world),
+    infile(ptr->infile),
+    screen(ptr->screen),
+    logfile(ptr->logfile),
+    atomKK(ptr->atomKK),
+    memoryKK(ptr->memoryKK),
+    python(ptr->python) {}
+  virtual ~Pointers() = default;
+
+  // remove default members execept for the copy constructor
+
+  Pointers() = delete;
+  Pointers(const Pointers &) = default;
+  Pointers(Pointers &&) = delete;
+  Pointers & operator=(const Pointers&) = delete;
+  Pointers & operator=(Pointers&&) = delete;
+
+ protected:
+  LAMMPS *lmp;
+  Memory *&memory;
+  Error *&error;
+  Universe *&universe;
+  Input *&input;
+
+  Atom *&atom;
+  Update *&update;
+  Neighbor *&neighbor;
+  Comm *&comm;
+  Domain *&domain;
+  Force *&force;
+  Modify *&modify;
+  Group *&group;
+  Output *&output;
+  Timer *&timer;
+
+  MPI_Comm &world;
+  FILE *&infile;
+  FILE *&screen;
+  FILE *&logfile;
+
+  class AtomKokkos *&atomKK;
+  class MemoryKokkos *&memoryKK;
+  class Python *&python;
+};
+
+}
+
+#endif
diff --git a/doc/includes/lammps/region.h b/doc/includes/lammps/region.h
new file mode 100644
index 0000000000..b74d839049
--- /dev/null
+++ b/doc/includes/lammps/region.h
@@ -0,0 +1,117 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_REGION_H
+#define LMP_REGION_H
+
+#include "pointers.h"    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+class Region : protected Pointers {
+ public:
+  char *id, *style;
+  Region **reglist;
+  int interior;                     // 1 for interior, 0 for exterior
+  int scaleflag;                    // 1 for lattice, 0 for box
+  double xscale, yscale, zscale;    // scale factors for box/lattice units
+  double extent_xlo, extent_xhi;    // bounding box on region
+  double extent_ylo, extent_yhi;
+  double extent_zlo, extent_zhi;
+  int bboxflag;                // 1 if bounding box is computable
+  int varshape;                // 1 if region shape changes over time
+  int dynamic;                 // 1 if position/orient changes over time
+  int moveflag, rotateflag;    // 1 if position/orientation changes
+  int openflag;                // 1 if any face is open
+  int open_faces[6];           // flags for which faces are open
+
+  int copymode;    // 1 if copy of original class
+
+  // contact = particle near region surface (for soft interactions)
+  // touch = particle touching region surface (for granular interactions)
+
+  struct Contact {
+    double r;                   // distance between particle & surf, r > 0.0
+    double delx, dely, delz;    // vector from surface pt to particle
+    double radius;              // curvature of region at contact point
+    int iwall;                  // unique id of wall for storing shear history
+    int varflag;                // 1 if wall can be variable-controlled
+  };
+  Contact *contact;    // list of contacts
+  int cmax;            // max # of contacts possible with region
+  int tmax;            // max # of touching contacts possible
+
+  // motion attributes of region
+  // public so can be accessed by other classes
+
+  double dx, dy, dz, theta;    // current displacement and orientation
+  double v[3];                 // translational velocity
+  double rpoint[3];            // current origin of rotation axis
+  double omega[3];             // angular velocity
+  double rprev;                // speed of time-dependent radius, if applicable
+  double xcenter[3];    // translated/rotated center of cylinder/sphere (only used if varshape)
+  double prev[5];       // stores displacement (X3), angle and if
+                        //  necessary, region variable size (e.g. radius)
+                        //  at previous time step
+  int vel_timestep;     // store timestep at which set_velocity was called
+                        //   prevents multiple fix/wall/gran/region calls
+  int nregion;          // For union and intersect
+  int size_restart;
+
+  Region(class LAMMPS *, int, char **);
+  ~Region() override;
+  virtual void init();
+  int dynamic_check();
+
+  // called by other classes to check point versus region
+
+  void prematch();
+  int match(double, double, double);
+  int surface(double, double, double, double);
+
+  virtual void set_velocity();
+  void velocity_contact(double *, double *, int);
+  virtual void write_restart(FILE *);
+  virtual int restart(char *, int &);
+  virtual void length_restart_string(int &);
+  virtual void reset_vel();
+
+  // implemented by each region, not called by other classes
+
+  virtual int inside(double, double, double) = 0;
+  virtual int surface_interior(double *, double) = 0;
+  virtual int surface_exterior(double *, double) = 0;
+  virtual void shape_update() {}
+  virtual void pretransform();
+  virtual void set_velocity_shape() {}
+  virtual void velocity_contact_shape(double *, double *) {}
+
+ protected:
+  void add_contact(int, double *, double, double, double);
+  void options(int, char **);
+  void point_on_line_segment(double *, double *, double *, double *);
+  void forward_transform(double &, double &, double &);
+  double point[3], runit[3];
+
+ private:
+  char *xstr, *ystr, *zstr, *tstr;
+  int xvar, yvar, zvar, tvar;
+  double axis[3];
+
+  void inverse_transform(double &, double &, double &);
+  void rotate(double &, double &, double &, double);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/timer.h b/doc/includes/lammps/timer.h
new file mode 100644
index 0000000000..a4b48716d5
--- /dev/null
+++ b/doc/includes/lammps/timer.h
@@ -0,0 +1,128 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_TIMER_H
+#define LMP_TIMER_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class Timer : protected Pointers {
+ public:
+  enum ttype {
+    RESET = -2,
+    START = -1,
+    TOTAL = 0,
+    PAIR,
+    BOND,
+    KSPACE,
+    NEIGH,
+    COMM,
+    MODIFY,
+    OUTPUT,
+    SYNC,
+    ALL,
+    DEPHASE,
+    DYNAMICS,
+    QUENCH,
+    NEB,
+    REPCOMM,
+    REPOUT,
+    NUM_TIMER
+  };
+  enum tlevel { OFF = 0, LOOP, NORMAL, FULL };
+
+  Timer(class LAMMPS *);
+
+  void init();
+
+  // inline function to reduce overhead if we want no detailed timings
+
+  void stamp(enum ttype which = START)
+  {
+    if (_level > LOOP) _stamp(which);
+  }
+
+  void barrier_start();
+  void barrier_stop();
+
+  // accessor methods for supported level of detail
+
+  bool has_loop() const { return (_level >= LOOP); }
+  bool has_normal() const { return (_level >= NORMAL); }
+  bool has_full() const { return (_level >= FULL); }
+  bool has_sync() const { return (_sync != OFF); }
+
+  // flag if wallclock time is expired
+  bool is_timeout() const { return (_timeout == 0.0); }
+
+  double elapsed(enum ttype);
+  double cpu(enum ttype);
+
+  double get_cpu(enum ttype which) const { return cpu_array[which]; };
+  double get_wall(enum ttype which) const { return wall_array[which]; };
+
+  void set_wall(enum ttype, double);
+
+  // initialize timeout timer
+  void init_timeout();
+
+  // trigger enforced timeout
+  void force_timeout() { _timeout = 0.0; }
+
+  // restore original timeout setting after enforce timeout
+  void reset_timeout() { _timeout = _s_timeout; }
+
+  // get remaining time in seconds. 0.0 if inactive, negative if expired
+  double get_timeout_remain();
+
+  // print timeout message
+  void print_timeout(FILE *);
+
+  // check for timeout. inline wrapper around internal
+  // function to reduce overhead in case there is no check.
+  bool check_timeout(int step)
+  {
+    if (_timeout == 0.0) return true;
+    if (_nextcheck != step)
+      return false;
+    else
+      return _check_timeout();
+  }
+
+  void modify_params(int, char **);
+
+ private:
+  double cpu_array[NUM_TIMER];
+  double wall_array[NUM_TIMER];
+  double previous_cpu;
+  double previous_wall;
+  double timeout_start;
+  int _level;        // level of detail: off=0,loop=1,normal=2,full=3
+  int _sync;         // if nonzero, synchronize tasks before setting the timer
+  int _timeout;      // max allowed wall time in seconds. infinity if negative
+  int _s_timeout;    // copy of timeout for restoring after a forced timeout
+  int _checkfreq;    // frequency of timeout checking
+  int _nextcheck;    // loop number of next timeout check
+
+  // update one specific timer array
+  void _stamp(enum ttype);
+
+  // check for timeout
+  bool _check_timeout();
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/universe.h b/doc/includes/lammps/universe.h
new file mode 100644
index 0000000000..faca04b398
--- /dev/null
+++ b/doc/includes/lammps/universe.h
@@ -0,0 +1,48 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_UNIVERSE_H
+#define LMP_UNIVERSE_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class Universe : protected Pointers {
+ public:
+  MPI_Comm uworld;    // communicator for entire universe
+  int me, nprocs;     // my place in universe
+
+  FILE *uscreen;     // universe screen output
+  FILE *ulogfile;    // universe logfile
+
+  int existflag;           // 1 if universe exists due to -partition flag
+  int nworlds;             // # of worlds in universe
+  int iworld;              // which world I am in
+  int *procs_per_world;    // # of procs in each world
+  int *root_proc;          // root proc in each world
+
+  MPI_Comm uorig;    // original communicator passed to LAMMPS instance
+  int *uni2orig;     // proc I in universe uworld is
+                     // proc uni2orig[I] in original communicator
+
+  Universe(class LAMMPS *, MPI_Comm);
+  ~Universe() override;
+  void reorder(char *, char *);
+  void add_world(char *);
+  int consistent();
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/update.h b/doc/includes/lammps/update.h
new file mode 100644
index 0000000000..b88e70134c
--- /dev/null
+++ b/doc/includes/lammps/update.h
@@ -0,0 +1,79 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_UPDATE_H
+#define LMP_UPDATE_H
+
+#include "pointers.h"
+
+#include <map>
+
+namespace LAMMPS_NS {
+
+class Update : protected Pointers {
+ public:
+  double dt;                     // timestep
+  double etol, ftol;             // minimizer tolerances on energy/force
+  bigint ntimestep;              // current step (dynamics or min iterations)
+  int nsteps;                    // # of steps to run (dynamics or min iter)
+  int whichflag;                 // 0 for unset, 1 for dynamics, 2 for min
+  double atime;                  // simulation time at atimestep
+  bigint atimestep;              // last timestep atime was updated
+  bigint firststep, laststep;    // 1st & last step of this run
+  bigint beginstep, endstep;     // 1st and last step of multiple runs
+  int first_update;              // 0 before initial update, 1 after
+  int max_eval;                  // max force evaluations for minimizer
+  int restrict_output;           // 1 if output should not write dump/restart
+  int setupflag;                 // set when setup() is computing forces
+  int multireplica;              // 1 if min across replicas, else 0
+  int dt_default;                // 1 if dt is at default value, else 0
+
+  bigint eflag_global, eflag_atom;    // timestep global/peratom eng is tallied on
+  bigint vflag_global, vflag_atom;    // ditto for virial
+
+  char *unit_style;
+
+  class Integrate *integrate;
+  char *integrate_style;
+
+  class Min *minimize;
+  char *minimize_style;
+
+  typedef Integrate *(*IntegrateCreator)(LAMMPS *, int, char **);
+  typedef Min *(*MinimizeCreator)(LAMMPS *);
+
+  typedef std::map<std::string, IntegrateCreator> IntegrateCreatorMap;
+  typedef std::map<std::string, MinimizeCreator> MinimizeCreatorMap;
+
+  IntegrateCreatorMap *integrate_map;
+  MinimizeCreatorMap *minimize_map;
+
+  Update(class LAMMPS *);
+  ~Update() override;
+  void init();
+  void set_units(const char *);
+  void create_integrate(int, char **, int);
+  void create_minimize(int, char **, int);
+  void reset_timestep(int, char **);
+  void reset_timestep(bigint, bool);
+  void update_time();
+  double memory_usage();
+
+ private:
+  void new_integrate(char *, int, char **, int, int &);
+  void new_minimize(char *, int, char **, int, int &);
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/utils.h b/doc/includes/lammps/utils.h
new file mode 100644
index 0000000000..6726240d0d
--- /dev/null
+++ b/doc/includes/lammps/utils.h
@@ -0,0 +1,672 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_UTILS_H
+#define LMP_UTILS_H
+
+/*! \file utils.h */
+
+#include "fmt/format.h"
+#include "lmptype.h"
+
+#include <mpi.h>
+
+#include <vector>    // IWYU pragma: export
+
+namespace LAMMPS_NS {
+
+// forward declarations
+class Error;
+class LAMMPS;
+
+namespace utils {
+
+  /*! Match text against a simplified regex pattern
+   *
+   *  \param text the text to be matched against the pattern
+   *  \param pattern the search pattern, which may contain regexp markers
+   *  \return true if the pattern matches, false if not */
+
+  bool strmatch(const std::string &text, const std::string &pattern);
+
+  /*! Find sub-string that matches a simplified regex pattern
+   *
+   *  \param text the text to be matched against the pattern
+   *  \param pattern the search pattern, which may contain regexp markers
+   *  \return the string that matches the pattern or an empty one */
+
+  std::string strfind(const std::string &text, const std::string &pattern);
+
+  /*! Print error message about missing arguments for command
+   *
+   * This function simplifies the repetitive reporting missing arguments to a command.
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param cmd      name of the failing command
+   *  \param error    pointer to Error class instance (for abort) or nullptr */
+
+  void missing_cmd_args(const std::string &file, int line, const std::string &cmd, Error *error);
+
+  /* Internal function handling the argument list for logmesg(). */
+
+  void fmtargs_logmesg(LAMMPS *lmp, fmt::string_view format, fmt::format_args args);
+
+  /*! Send formatted message to screen and logfile, if available
+   *
+   * This function simplifies the repetitive task of outputting some
+   * message to both the screen and/or the log file. The template
+   * wrapper with fmtlib format and argument processing allows
+   * this function to work similar to ``fmt::print()``.
+   *
+   *  \param lmp    pointer to LAMMPS class instance
+   *  \param format format string of message to be printed
+   *  \param args   arguments to format string */
+
+  template <typename S, typename... Args> void logmesg(LAMMPS *lmp, const S &format, Args &&...args)
+  {
+    fmtargs_logmesg(lmp, format, fmt::make_args_checked<Args...>(format, args...));
+  }
+
+  /*! \overload
+   *
+   *  \param lmp    pointer to LAMMPS class instance
+   *  \param mesg   string with message to be printed */
+
+  void logmesg(LAMMPS *lmp, const std::string &mesg);
+
+  /*! Return text redirecting the user to a specific paragraph in the manual
+   *
+   * The LAMMPS manual contains detailed detailed explanations for errors and
+   * warnings where a simple error message may not be sufficient.  These can
+   * be reached through URLs with a numeric code.  This function creates the
+   * corresponding text to be included into the error message that redirects
+   * the user to that URL.
+   *
+   *  \param errorcode   number pointing to a paragraph in the manual */
+
+  std::string errorurl(int errorcode);
+
+  /*! Flush output buffers
+   *
+   *  This function calls fflush() on screen and logfile FILE pointers
+   *  if available and thus tells the operating system to output all
+   *  currently buffered data. This is local operation and independent
+   *  from buffering by a file system or an MPI library.
+   */
+
+  void flush_buffers(LAMMPS *lmp);
+
+  /*! Return a string representing the current system error status
+   *
+   *  This is a wrapper around calling strerror(errno).
+   *
+   *  \return  error string */
+
+  std::string getsyserror();
+
+  /*! Wrapper around fgets() which reads whole lines but truncates the
+   *  data to the buffer size and ensures a newline char at the end.
+   *
+   *  This function is useful for reading line based text files with
+   *  possible comments that should be parsed later. This applies to
+   *  data files, potential files, atomfile variable files and so on.
+   *  It is used instead of fgets() by utils::read_lines_from_file().
+   *
+   *  \param s        buffer for storing the result of fgets()
+   *  \param size     size of buffer s (max number of bytes returned)
+   *  \param fp       file pointer used by fgets() */
+
+  char *fgets_trunc(char *s, int size, FILE *fp);
+
+  /*! Safe wrapper around fgets() which aborts on errors
+   *  or EOF and prints a suitable error message to help debugging.
+   *
+   *  Use nullptr as the error parameter to avoid the abort on EOF or error.
+   *
+   *  \param srcname  name of the calling source file (from FLERR macro)
+   *  \param srcline  line in the calling source file (from FLERR macro)
+   *  \param s        buffer for storing the result of fgets()
+   *  \param size     size of buffer s (max number of bytes read by fgets())
+   *  \param fp       file pointer used by fgets()
+   *  \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect)
+   *  \param error    pointer to Error class instance (for abort) or nullptr */
+
+  void sfgets(const char *srcname, int srcline, char *s, int size, FILE *fp, const char *filename,
+              Error *error);
+
+  /*! Safe wrapper around fread() which aborts on errors
+   *  or EOF and prints a suitable error message to help debugging.
+   *
+   *  Use nullptr as the error parameter to avoid the abort on EOF or error.
+   *
+   *  \param srcname  name of the calling source file (from FLERR macro)
+   *  \param srcline  line in the calling source file (from FLERR macro)
+   *  \param s        buffer for storing the result of fread()
+   *  \param size     size of data elements read by fread()
+   *  \param num      number of data elements read by fread()
+   *  \param fp       file pointer used by fread()
+   *  \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect)
+   *  \param error    pointer to Error class instance (for abort) or nullptr */
+
+  void sfread(const char *srcname, int srcline, void *s, size_t size, size_t num, FILE *fp,
+              const char *filename, Error *error);
+
+  /*! Read N lines of text from file into buffer and broadcast them
+   *
+   * This function uses repeated calls to fread() to fill a buffer with
+   * newline terminated text.  If a line does not end in a newline (e.g.
+   * at the end of a file), it is added.  The caller has to allocate an
+   * nlines by nmax sized buffer for storing the text data.
+   * Reading is done by MPI rank 0 of the given communicator only, and
+   * thus only MPI rank 0 needs to provide a valid file pointer.
+   *
+   *  \param fp       file pointer used by fread
+   *  \param nlines   number of lines to be read
+   *  \param nmax     maximum length of a single line
+   *  \param buffer   buffer for storing the data.
+   *  \param me       MPI rank of calling process in MPI communicator
+   *  \param comm     MPI communicator for broadcast
+   *  \return         1 if the read was short, 0 if read was successful */
+
+  int read_lines_from_file(FILE *fp, int nlines, int nmax, char *buffer, int me, MPI_Comm comm);
+
+  /*! Report if a requested style is in a package or may have a typo
+   *
+   *  \param style type of style that is to be checked for
+   *  \param name  name of style that was not found
+   *  \param lmp   pointer to top-level LAMMPS class instance
+   *  \return string usable for error messages */
+
+  std::string check_packages_for_style(const std::string &style, const std::string &name,
+                                       LAMMPS *lmp);
+
+  /*! Convert a string to a boolean while checking whether it is a valid boolean term.
+   *  Valid terms are 'yes', 'no', 'true', 'false', 'on', 'off', and '1', '0'. Only
+   *  lower case is accepted.
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to logical
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         1 if string resolves to "true", otherwise 0 */
+
+  int logical(const char *file, int line, const std::string &str, bool do_abort, LAMMPS *lmp);
+
+  /*! \overload
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to logical
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         1 if string resolves to "true", otherwise 0 */
+
+  int logical(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
+
+  /*! Convert a string to a floating point number while checking
+   *  if it is a valid floating point or integer number
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to number
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         double precision floating point number */
+
+  double numeric(const char *file, int line, const std::string &str, bool do_abort, LAMMPS *lmp);
+
+  /*! \overload
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to number
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         double precision floating point number */
+
+  double numeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
+
+  /*! Convert a string to an integer number while checking
+   *  if it is a valid integer number (regular int)
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to number
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         integer number (regular int)  */
+
+  int inumeric(const char *file, int line, const std::string &str, bool do_abort, LAMMPS *lmp);
+
+  /*! \overload
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to number
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         double precision floating point number */
+
+  int inumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
+
+  /*! Convert a string to an integer number while checking
+   *  if it is a valid integer number (bigint)
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to number
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         integer number (bigint) */
+
+  bigint bnumeric(const char *file, int line, const std::string &str, bool do_abort, LAMMPS *lmp);
+
+  /*! \overload
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to number
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         double precision floating point number */
+
+  bigint bnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
+
+  /*! Convert a string to an integer number while checking
+   *  if it is a valid integer number (tagint)
+   *
+   * \param file     name of source file for error message
+   * \param line     line number in source file for error message
+   * \param str      string to be converted to number
+   * \param do_abort determines whether to call Error::one() or Error::all()
+   * \param lmp      pointer to top-level LAMMPS class instance
+   * \return         integer number (tagint) */
+
+  tagint tnumeric(const char *file, int line, const std::string &str, bool do_abort, LAMMPS *lmp);
+
+  /*! \overload
+   *
+   *  \param file     name of source file for error message
+   *  \param line     line number in source file for error message
+   *  \param str      string to be converted to number
+   *  \param do_abort determines whether to call Error::one() or Error::all()
+   *  \param lmp      pointer to top-level LAMMPS class instance
+   *  \return         double precision floating point number */
+
+  tagint tnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
+
+  /*! Compute index bounds derived from a string with a possible wildcard
+   *
+   * This functions processes the string in *str* and set the values of *nlo*
+   * and *nhi* according to the following five cases:
+   *
+   * - a single number, i: nlo = i; nhi = i;
+   * - a single asterisk, \*: nlo = nmin; nhi = nmax;
+   * - a single number followed by an asterisk, i\*: nlo = i; nhi = nmax;
+   * - a single asterisk followed by a number, \*i: nlo = nmin; nhi = i;
+   * - two numbers with an asterisk in between. i\*j: nlo = i; nhi = j;
+   *
+   * \param file     name of source file for error message
+   * \param line     line number in source file for error message
+   * \param str      string to be processed
+   * \param nmin     smallest possible lower bound
+   * \param nmax     largest allowed upper bound
+   * \param nlo      lower bound
+   * \param nhi      upper bound
+   * \param error    pointer to Error class for out-of-bounds messages */
+
+  template <typename TYPE>
+  void bounds(const char *file, int line, const std::string &str, bigint nmin, bigint nmax,
+              TYPE &nlo, TYPE &nhi, Error *error);
+
+  /*! Expand list of arguments when containing fix/compute wildcards
+   *
+   *  This function searches the list of arguments in *arg* for strings
+   *  of the kind c_ID[*] or f_ID[*] referring to computes or fixes.
+   *  Any such strings are replaced by one or more strings with the
+   *  '*' character replaced by the corresponding possible numbers as
+   *  determined from the fix or compute instance.  Other strings are
+   *  just copied. If the *mode* parameter is set to 0, expand global
+   *  vectors, but not global arrays; if it is set to 1, expand global
+   *  arrays (by column) but not global vectors.
+   *
+   *  If any expansion happens, the earg list and all its
+   *  strings are new allocations and must be freed explicitly by the
+   *  caller. Otherwise arg and earg will point to the same address
+   *  and no explicit de-allocation is needed by the caller.
+   *
+   * \param file  name of source file for error message
+   * \param line  line number in source file for error message
+   * \param narg  number of arguments in current list
+   * \param arg   argument list, possibly containing wildcards
+   * \param mode  select between global vectors(=0) and arrays (=1)
+   * \param earg  new argument list with wildcards expanded
+   * \param lmp   pointer to top-level LAMMPS class instance
+   * \return      number of arguments in expanded list */
+
+  int expand_args(const char *file, int line, int narg, char **arg, int mode, char **&earg,
+                  LAMMPS *lmp);
+
+  /*! Make C-style copy of string in new storage
+   *
+   * This allocates a storage buffer and copies the C-style or
+   * C++ style string into it.  The buffer is allocated with "new"
+   * and thus needs to be deallocated with "delete[]".
+   *
+   * \param text  string that should be copied
+   * \return new buffer with copy of string */
+
+  char *strdup(const std::string &text);
+
+  /*! Convert string to lowercase
+   *
+   * \param line  string that should be converted
+   * \return new string with all lowercase characters */
+
+  std::string lowercase(const std::string &line);
+
+  /*! Convert string to uppercase
+   *
+   * \param line  string that should be converted
+   * \return new string with all uppercase characters */
+
+  std::string uppercase(const std::string &line);
+
+  /*! Trim leading and trailing whitespace. Like TRIM() in Fortran.
+   *
+   * \param line  string that should be trimmed
+   * \return new string without whitespace (string) */
+
+  std::string trim(const std::string &line);
+
+  /*! Return string with anything from the first '#' character onward removed
+   *
+   * \param line  string that should be trimmed
+   * \return new string without comment (string) */
+
+  std::string trim_comment(const std::string &line);
+
+  /*! Replace first '*' character in a string with a number, optionally zero-padded
+   *
+   * If there is no '*' character in the string, return the original string.
+   * If the number requires more characters than the value of the *pad*
+   * argument, do not add zeros; otherwise add as many zeroes as needed to
+   * the left to make the the number representation *pad* characters wide.
+   *
+   * \param name  string with file containing a '*' (or not)
+   * \param step  step number to replace the (first) '*'
+   * \param pad   zero-padding (may be zero)
+   * \return  processed string */
+
+  std::string star_subst(const std::string &name, bigint step, int pad);
+
+  /*! Check if a string will likely have UTF-8 encoded characters
+   *
+   * UTF-8 uses the 7-bit standard ASCII table for the first 127 characters and
+   * all other characters are encoded as multiple bytes.  For the multi-byte
+   * characters the first byte has either the highest two, three, or four bits
+   * set followed by a zero bit and followed by one, two, or three more bytes,
+   * respectively, where the highest bit is set and the second highest bit set
+   * to 0.  The remaining bits combined are the character code, which is thus
+   * limited to 21-bits.
+   *
+   * For the sake of efficiency this test only checks if a character in the string
+   * has the highest bit set and thus is very likely an UTF-8 character.  It will
+   * not be able to tell this this is a valid UTF-8 character or whether it is a
+   * 2-byte, 3-byte, or 4-byte character.
+   *
+\verbatim embed:rst
+
+*See also*
+   :cpp:func:`utils::utf8_subst`
+
+\endverbatim
+   * \param line  string that should be checked
+   * \return true if string contains UTF-8 encoded characters (bool) */
+
+  inline bool has_utf8(const std::string &line)
+  {
+    for (auto c : line)
+      if (c & 0x80U) return true;
+    return false;
+  }
+
+  /*! Replace known UTF-8 characters with ASCII equivalents
+   *
+\verbatim embed:rst
+
+*See also*
+   :cpp:func:`utils::has_utf8`
+
+\endverbatim
+   * \param line  string that should be converted
+   * \return new string with ascii replacements (string) */
+
+  std::string utf8_subst(const std::string &line);
+
+  /*! Count words in string with custom choice of separating characters
+   *
+   * \param text string that should be searched
+   * \param separators string containing characters that will be treated as whitespace
+   * \return number of words found */
+
+  size_t count_words(const std::string &text, const std::string &separators);
+
+  /*! Count words in string, ignore any whitespace matching " \t\r\n\f"
+   *
+   * \param text string that should be searched
+   * \return number of words found */
+
+  size_t count_words(const std::string &text);
+
+  /*! Count words in C-string, ignore any whitespace matching " \t\r\n\f"
+   *
+   * \param text string that should be searched
+   * \return number of words found */
+
+  size_t count_words(const char *text);
+
+  /*! Count words in a single line, trim anything from '#' onward
+   *
+   * \param text string that should be trimmed and searched
+   * \param separators string containing characters that will be treated as whitespace
+   * \return number of words found */
+
+  size_t trim_and_count_words(const std::string &text, const std::string &separators = " \t\r\n\f");
+
+  /*! Take text and split into non-whitespace words.
+   *
+   * This can handle strings with single and double quotes, escaped quotes,
+   * and escaped codes within quotes, but due to using an STL container and
+   * STL strings is rather slow because of making copies. Designed for
+   * parsing command lines and similar text and not for time critical
+   * processing.  Use a tokenizer class if performance matters.
+   *
+\verbatim embed:rst
+
+*See also*
+   :cpp:class:`Tokenizer`, :cpp:class:`ValueTokenizer`
+
+\endverbatim
+   * \param text string that should be split
+   * \return STL vector with the words */
+
+  std::vector<std::string> split_words(const std::string &text);
+
+  /*! Take multi-line text and split into lines
+   *
+   * \param text string that should be split
+   * \return STL vector with the lines */
+  std::vector<std::string> split_lines(const std::string &text);
+
+  /*! Check if string can be converted to valid integer
+   *
+   * \param str string that should be checked
+   * \return true, if string contains valid a integer, false otherwise */
+
+  bool is_integer(const std::string &str);
+
+  /*! Check if string can be converted to valid floating-point number
+   *
+   * \param str string that should be checked
+   * \return true, if string contains valid number, false otherwise */
+
+  bool is_double(const std::string &str);
+
+  /*! Check if string is a valid ID
+   * ID strings may contain only letters, numbers, and underscores.
+   *
+   * \param str string that should be checked
+   * \return true, if string contains valid id, false otherwise */
+
+  bool is_id(const std::string &str);
+
+  /*! Determine full path of potential file. If file is not found in current directory,
+   *  search directories listed in LAMMPS_POTENTIALS environment variable
+   *
+   * \param path file path
+   * \return full path to potential file */
+
+  std::string get_potential_file_path(const std::string &path);
+
+  /*! Read potential file and return DATE field if it is present
+   *
+   * \param path file path
+   * \param potential_name name of potential that is being read
+   * \return DATE field if present */
+
+  std::string get_potential_date(const std::string &path, const std::string &potential_name);
+
+  /*! Read potential file and return UNITS field if it is present
+   *
+   * \param path file path
+   * \param potential_name name of potential that is being read
+   * \return UNITS field if present */
+
+  std::string get_potential_units(const std::string &path, const std::string &potential_name);
+
+  enum { NOCONVERT = 0, METAL2REAL = 1, REAL2METAL = 1 << 1 };
+  enum { UNKNOWN = 0, ENERGY };
+
+  /*! Return bitmask of available conversion factors for a given property
+   *
+   * \param property property to be converted
+   * \return bitmask indicating available conversions */
+
+  int get_supported_conversions(const int property);
+
+  /*! Return unit conversion factor for given property and selected from/to units
+   *
+   * \param property property to be converted
+   * \param conversion constant indicating the conversion
+   * \return conversion factor */
+
+  double get_conversion_factor(const int property, const int conversion);
+
+  /*! Open a potential file as specified by *name*
+   *
+   * If opening the file directly fails, the function will search for
+   * it in the list of folder pointed to by the environment variable
+   * ``LAMMPS_POTENTIALS`` (if it is set).
+   *
+   * If the potential file has a ``UNITS`` tag in the first line, the
+   * tag's value is compared to the current unit style setting.
+   * The behavior of the function then depends on the value of the
+   * *auto_convert* parameter.  If it is a null pointer, then the unit
+   * values must match or else the open will fail with an error.  Otherwise
+   * the bitmask that *auto_convert* points to is used check for
+   * compatibility with possible automatic conversions by the calling
+   * function.  If compatible, the bitmask is set to the required
+   * conversion or ``utils::NOCONVERT``.
+   *
+   * \param name          file- or pathname of the potential file
+   * \param lmp           pointer to top-level LAMMPS class instance
+   * \param auto_convert  pointer to unit conversion bitmask or ``nullptr``
+   * \return              FILE pointer of the opened potential file or ``nullptr`` */
+
+  FILE *open_potential(const std::string &name, LAMMPS *lmp, int *auto_convert);
+
+  /*! Convert a time string to seconds
+   *
+   * The strings "off" and "unlimited" result in -1
+   *
+   * \param timespec a string in the following format: ([[HH:]MM:]SS)
+   * \return total in seconds */
+
+  double timespec2seconds(const std::string &timespec);
+
+  /*! Convert a LAMMPS version date to a number
+   *
+   * This will generate a number YYYYMMDD from a date string
+   * (with or without blanks) that is suitable for numerical
+   * comparisons, i.e. later dates will generate a larger number.
+   *
+   * The day may or may not have a leading zero, the month
+   * is identified by the first 3 letters (so there may be more)
+   * and the year may be 2 or 4 digits (the missing 2 digits will
+   * be assumed as 20. That is 04 corresponds to 2004).
+   *
+   * No check is made whether the date is valid.
+   *
+   * \param  date  string in the format (Day Month Year)
+   * \return       date code */
+
+  int date2num(const std::string &date);
+
+  /*! Return current date as string
+   *
+   * This will generate a string containing the current date in YYYY-MM-DD format.
+   *
+   * \return       string with current date */
+
+  std::string current_date();
+
+  /*! Binary search in a vector of ascending doubles of length N
+   *
+   * If the value is smaller than the smallest value in the vector, 0 is returned.
+   * If the value is larger or equal than the largest value in the vector, N-1 is returned.
+   * Otherwise the index that satisfies the condition
+   *
+   * haystack[index] <= value < haystack[index+1]
+   *
+   * is returned, i.e. a value from 1 to N-2. Note that if there are tied values in the
+   * haystack, always the larger index is returned as only that satisfied the condition.
+   *
+   * \param  needle    search value for which are are looking for the closest index
+   * \param  n         size of the haystack array
+   * \param  haystack  array with data in ascending order.
+   * \return           index of value in the haystack array smaller or equal to needle */
+  int binary_search(const double needle, const int n, const double *haystack);
+
+  /*! Custom merge sort implementation
+   *
+   * This function provides a custom upward hybrid merge sort
+   * implementation with support to pass an opaque pointer to
+   * the comparison function, e.g. for access to class members.
+   * This avoids having to use global variables.  For improved
+   * performance, it uses an in-place insertion sort on initial
+   * chunks of up to 64 elements and switches to merge sort from
+   * then on.
+   *
+   * \param  index  Array with indices to be sorted
+   * \param  num    Length of the index array
+   * \param  ptr    Pointer to opaque object passed to comparison function
+   * \param  comp   Pointer to comparison function */
+
+  void merge_sort(int *index, int num, void *ptr, int (*comp)(int, int, void *));
+}    // namespace utils
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/includes/lammps/variable.h b/doc/includes/lammps/variable.h
new file mode 100644
index 0000000000..52632ba6ce
--- /dev/null
+++ b/doc/includes/lammps/variable.h
@@ -0,0 +1,170 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_VARIABLE_H
+#define LMP_VARIABLE_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+class Region;
+
+class Variable : protected Pointers {
+  friend class Info;
+
+ public:
+  Variable(class LAMMPS *);
+  ~Variable() override;
+  void set(int, char **);
+  void set(const std::string &);
+  void set(char *, int, char **);
+  int set_string(const char *, const char *);
+  int next(int, char **);
+
+  int find(const char *);
+  void set_arrays(int);
+  void python_command(int, char **);
+
+  int equalstyle(int);
+  int atomstyle(int);
+  int vectorstyle(int);
+  char *pythonstyle(char *, char *);
+  int internalstyle(int);
+
+  char *retrieve(const char *);
+  double compute_equal(int);
+  double compute_equal(const std::string &);
+  void compute_atom(int, int, double *, int, int);
+  int compute_vector(int, double **);
+  void internal_set(int, double);
+
+  tagint int_between_brackets(char *&, int);
+  double evaluate_boolean(char *);
+
+ public:
+  int nvar;        // # of defined variables
+  char **names;    // name of each variable
+
+  // must match "varstyles" array in info.cpp
+  enum {
+    INDEX,
+    LOOP,
+    WORLD,
+    UNIVERSE,
+    ULOOP,
+    STRING,
+    GETENV,
+    SCALARFILE,
+    ATOMFILE,
+    FORMAT,
+    EQUAL,
+    ATOM,
+    VECTOR,
+    PYTHON,
+    TIMER,
+    INTERNAL
+  };
+  static constexpr int VALUELENGTH = 64;
+
+ private:
+  int me;
+  int maxvar;                  // max # of variables following lists can hold
+  int *style;                  // style of each variable
+  int *num;                    // # of values for each variable
+  int *which;                  // next available value for each variable
+  int *pad;                    // 1 = pad loop/uloop variables with 0s, 0 = no pad
+  class VarReader **reader;    // variable that reads from file
+  char ***data;                // str value of each variable's values
+  double *dvalue;              // single numeric value for internal variables
+
+  struct VecVar {
+    int n, nmax;
+    bigint currentstep;
+    double *values;
+  };
+  VecVar *vecs;
+
+  int *eval_in_progress;    // flag if evaluation of variable is in progress
+  int treetype;             // ATOM or VECTOR flag for formula evaluation
+
+  class RanMars *randomequal;    // random number generator for equal-style vars
+  class RanMars *randomatom;     // random number generator for atom-style vars
+
+  int precedence[18];    // precedence level of math operators
+                         // set length to include up to XOR in enum
+
+  struct Tree {              // parse tree for atom-style or vector-style vars
+    double value;            // single scalar
+    double *array;           // per-atom or per-type list of doubles
+    int *iarray;             // per-atom list of ints
+    bigint *barray;          // per-atom list of bigints
+    int type;                // operation, see enum{} in variable.cpp
+    int nvector;             // length of array for vector-style variable
+    int nstride;             // stride between atoms if array is a 2d array
+    int selfalloc;           // 1 if array is allocated here, else 0
+    int ivalue;              // extra value needed for gmask, grmask
+    int nextra;              // # of additional args beyond first 2
+    Region *region;          // region pointer for rmask, grmask
+    Tree *first, *second;    // ptrs further down tree for first 2 args
+    Tree **extra;            // ptrs further down tree for nextra args
+
+    Tree() :
+        array(nullptr), iarray(nullptr), barray(nullptr), selfalloc(0), ivalue(0), nextra(0),
+        region(nullptr), first(nullptr), second(nullptr), extra(nullptr)
+    {
+    }
+  };
+
+  int compute_python(int);
+  void remove(int);
+  void grow();
+  void copy(int, char **, char **);
+  double evaluate(char *, Tree **, int);
+  double collapse_tree(Tree *);
+  double eval_tree(Tree *, int);
+  int size_tree_vector(Tree *);
+  int compare_tree_vector(int, int);
+  void free_tree(Tree *);
+  int find_matching_paren(char *, int, char *&, int);
+  int math_function(char *, char *, Tree **, Tree **, int &, double *, int &, int);
+  int group_function(char *, char *, Tree **, Tree **, int &, double *, int &, int);
+  Region *region_function(char *, int);
+  int special_function(char *, char *, Tree **, Tree **, int &, double *, int &, int);
+  void peratom2global(int, char *, double *, int, tagint, Tree **, Tree **, int &, double *, int &);
+  int is_atom_vector(char *);
+  void atom_vector(char *, Tree **, Tree **, int &);
+  int parse_args(char *, char **);
+  char *find_next_comma(char *);
+  void print_var_error(const std::string &, int, const std::string &, int, int global = 1);
+  void print_tree(Tree *, int);
+};
+
+class VarReader : protected Pointers {
+ public:
+  class FixStore *fixstore;
+  char *id_fix;
+
+  VarReader(class LAMMPS *, char *, char *, int);
+  ~VarReader() override;
+  int read_scalar(char *);
+  int read_peratom();
+
+ private:
+  int me, style;
+  FILE *fp;
+  char *buffer;
+};
+
+}    // namespace LAMMPS_NS
+
+#endif
diff --git a/doc/liblammps.pc b/doc/liblammps.pc
new file mode 100644
index 0000000000..645116ca9a
--- /dev/null
+++ b/doc/liblammps.pc
@@ -0,0 +1,32 @@
+# pkg-config file for lammps
+# https://people.freedesktop.org/~dbn/pkg-config-guide.html
+
+# Add the directory where lammps.pc got installed to your PKG_CONFIG_PATH
+# e.g. export PKG_CONFIG_PATH=/Users/ngoccuongnguyen/.local/lib/pkgconfig
+
+# Use this on commandline with:
+# c++ `pkg-config --cflags --libs lammps` -o myapp myapp.cpp
+
+# Use this in a Makefile:
+# myapp: myapp.cpp
+# 	$(CC) `pkg-config --cflags --libs lammps` -o $@ $<
+
+# Use this in autotools:
+# configure.ac:
+# PKG_CHECK_MODULES([LAMMPS], [lammps])
+# Makefile.am:
+# myapp_CFLAGS = $(LAMMPS_CFLAGS)
+# myapp_LDADD = $(LAMMPS_LIBS)
+
+prefix=/Users/ngoccuongnguyen/.local
+libdir=/Users/ngoccuongnguyen/.local/lib
+includedir=/Users/ngoccuongnguyen/.local/include
+
+Name: liblammps
+Description: Large-scale Atomic/Molecular Massively Parallel Simulator Library
+URL: https://www.lammps.org
+Version: 20220602
+Requires:
+Libs: -L${libdir} -llammps
+Libs.private: -lm
+Cflags: -I${includedir}  -DLAMMPS_SMALLBIG -DLAMMPS_EXCEPTIONS
diff --git a/doc/styles/lmpgitversion.h b/doc/styles/lmpgitversion.h
new file mode 100644
index 0000000000..d7f80bca10
--- /dev/null
+++ b/doc/styles/lmpgitversion.h
@@ -0,0 +1,8 @@
+#ifndef LMP_GIT_VERSION_H
+#define LMP_GIT_VERSION_H
+bool LAMMPS_NS::LAMMPS::has_git_info() { return true; }
+const char *LAMMPS_NS::LAMMPS::git_commit() { return "3ae84a3b3f5552f180f29638cd630afc072a9e52"; }
+const char *LAMMPS_NS::LAMMPS::git_branch() { return "pod"; }
+const char *LAMMPS_NS::LAMMPS::git_descriptor() { return "patch_2Jun2022-37-g3ae84a3b3f-modified"; }
+#endif
+
diff --git a/doc/styles/lmpgitversion.h.tmp b/doc/styles/lmpgitversion.h.tmp
new file mode 100644
index 0000000000..d7f80bca10
--- /dev/null
+++ b/doc/styles/lmpgitversion.h.tmp
@@ -0,0 +1,8 @@
+#ifndef LMP_GIT_VERSION_H
+#define LMP_GIT_VERSION_H
+bool LAMMPS_NS::LAMMPS::has_git_info() { return true; }
+const char *LAMMPS_NS::LAMMPS::git_commit() { return "3ae84a3b3f5552f180f29638cd630afc072a9e52"; }
+const char *LAMMPS_NS::LAMMPS::git_branch() { return "pod"; }
+const char *LAMMPS_NS::LAMMPS::git_descriptor() { return "patch_2Jun2022-37-g3ae84a3b3f-modified"; }
+#endif
+
diff --git a/doc/styles/lmpinstalledpkgs.h b/doc/styles/lmpinstalledpkgs.h
new file mode 100644
index 0000000000..d8a0981dde
--- /dev/null
+++ b/doc/styles/lmpinstalledpkgs.h
@@ -0,0 +1,14 @@
+#ifndef LMP_INSTALLED_PKGS_H
+#define LMP_INSTALLED_PKGS_H
+const char * LAMMPS_NS::LAMMPS::installed_packages[] =  {
+  "KSPACE",
+  "MANYBODY",
+  "ML-POD",
+  "ML-SNAP",
+  "MOLECULE",
+  "PYTHON",
+  "RIGID",
+  NULL
+};
+#endif
+
diff --git a/doc/styles/lmpinstalledpkgs.h.tmp b/doc/styles/lmpinstalledpkgs.h.tmp
new file mode 100644
index 0000000000..d8a0981dde
--- /dev/null
+++ b/doc/styles/lmpinstalledpkgs.h.tmp
@@ -0,0 +1,14 @@
+#ifndef LMP_INSTALLED_PKGS_H
+#define LMP_INSTALLED_PKGS_H
+const char * LAMMPS_NS::LAMMPS::installed_packages[] =  {
+  "KSPACE",
+  "MANYBODY",
+  "ML-POD",
+  "ML-SNAP",
+  "MOLECULE",
+  "PYTHON",
+  "RIGID",
+  NULL
+};
+#endif
+
diff --git a/doc/styles/packages_angle.h b/doc/styles/packages_angle.h
new file mode 100644
index 0000000000..56e78bedfd
--- /dev/null
+++ b/doc/styles/packages_angle.h
@@ -0,0 +1,123 @@
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/angle_sdk.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/angle_class2.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/angle_dipole.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_delta.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_periodic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_shift.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_shift_exp.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_fourier.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_fourier_simple.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_gaussian.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_quartic.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/angle_class2_p6.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/angle_cosine_buck6d.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_charmm.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_cosine.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_cosine_squared.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_table.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/angle_cross.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/angle_mm3.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_charmm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_cosine_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/angle_charmm_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/angle_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_charmm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_delta_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_periodic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_shift_exp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_shift_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_squared_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_dipole_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_fourier_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_fourier_simple_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_quartic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_sdk_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_table_omp.h"
diff --git a/doc/styles/packages_angle.h.tmp b/doc/styles/packages_angle.h.tmp
new file mode 100644
index 0000000000..56e78bedfd
--- /dev/null
+++ b/doc/styles/packages_angle.h.tmp
@@ -0,0 +1,123 @@
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/angle_sdk.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/angle_class2.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/angle_dipole.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_delta.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_periodic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_shift.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_cosine_shift_exp.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_fourier.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_fourier_simple.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_gaussian.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/angle_quartic.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/angle_class2_p6.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/angle_cosine_buck6d.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_charmm.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_cosine.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_cosine_squared.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/angle_table.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/angle_cross.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/angle_mm3.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_charmm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_cosine_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/angle_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/angle_charmm_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/angle_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_charmm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_delta_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_periodic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_shift_exp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_shift_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_cosine_squared_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_dipole_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_fourier_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_fourier_simple_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_quartic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_sdk_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/angle_table_omp.h"
diff --git a/doc/styles/packages_atom.h b/doc/styles/packages_atom.h
new file mode 100644
index 0000000000..2bec7a6939
--- /dev/null
+++ b/doc/styles/packages_atom.h
@@ -0,0 +1,90 @@
+#undef PACKAGE
+#define PACKAGE "AWPMD"
+#include "AWPMD/atom_vec_wavepacket.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/atom_vec_bpm_sphere.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/atom_vec_oxdna.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/atom_vec_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/atom_vec_dipole.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/atom_vec_edpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/atom_vec_mdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/atom_vec_tdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/atom_vec_dpd.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/atom_vec_electron.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/atom_vec_smd.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/atom_vec_mesont.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_angle.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_bond.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_full.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_molecular.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_template.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/atom_vec_peri.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/atom_vec_sph.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/atom_vec_spin.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_angle_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_atomic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_bond_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_charge_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_dpd_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_full_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_hybrid_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_molecular_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_sphere_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_spin_kokkos.h"
diff --git a/doc/styles/packages_atom.h.tmp b/doc/styles/packages_atom.h.tmp
new file mode 100644
index 0000000000..2bec7a6939
--- /dev/null
+++ b/doc/styles/packages_atom.h.tmp
@@ -0,0 +1,90 @@
+#undef PACKAGE
+#define PACKAGE "AWPMD"
+#include "AWPMD/atom_vec_wavepacket.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/atom_vec_bpm_sphere.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/atom_vec_oxdna.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/atom_vec_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/atom_vec_dipole.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/atom_vec_edpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/atom_vec_mdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/atom_vec_tdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/atom_vec_dpd.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/atom_vec_electron.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/atom_vec_smd.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/atom_vec_mesont.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_angle.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_bond.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_full.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_molecular.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/atom_vec_template.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/atom_vec_peri.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/atom_vec_sph.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/atom_vec_spin.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_angle_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_atomic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_bond_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_charge_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_dpd_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_full_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_hybrid_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_molecular_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_sphere_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/atom_vec_spin_kokkos.h"
diff --git a/doc/styles/packages_body.h b/doc/styles/packages_body.h
new file mode 100644
index 0000000000..10db8c5538
--- /dev/null
+++ b/doc/styles/packages_body.h
@@ -0,0 +1,9 @@
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/body_nparticle.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/body_rounded_polygon.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/body_rounded_polyhedron.h"
diff --git a/doc/styles/packages_body.h.tmp b/doc/styles/packages_body.h.tmp
new file mode 100644
index 0000000000..10db8c5538
--- /dev/null
+++ b/doc/styles/packages_body.h.tmp
@@ -0,0 +1,9 @@
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/body_nparticle.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/body_rounded_polygon.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/body_rounded_polyhedron.h"
diff --git a/doc/styles/packages_bond.h b/doc/styles/packages_bond.h
new file mode 100644
index 0000000000..b82a8ab810
--- /dev/null
+++ b/doc/styles/packages_bond.h
@@ -0,0 +1,108 @@
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/bond_bpm_rotational.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/bond_bpm_spring.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/bond_oxdna2_fene.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/bond_oxdna_fene.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/bond_oxrna2_fene.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/bond_class2.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_fene_nm.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_gaussian.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_harmonic_shift.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_harmonic_shift_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_nonlinear.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/bond_special.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_fene.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_fene_expand.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_gromos.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_morse.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_quartic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_table.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/bond_mm3.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/bond_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/bond_fene_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/bond_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/bond_fene_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/bond_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_fene_expand_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_fene_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_gromos_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_harmonic_shift_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_harmonic_shift_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_nonlinear_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_quartic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_table_omp.h"
diff --git a/doc/styles/packages_bond.h.tmp b/doc/styles/packages_bond.h.tmp
new file mode 100644
index 0000000000..b82a8ab810
--- /dev/null
+++ b/doc/styles/packages_bond.h.tmp
@@ -0,0 +1,108 @@
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/bond_bpm_rotational.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/bond_bpm_spring.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/bond_oxdna2_fene.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/bond_oxdna_fene.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/bond_oxrna2_fene.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/bond_class2.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_fene_nm.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_gaussian.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_harmonic_shift.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_harmonic_shift_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/bond_nonlinear.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/bond_special.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_fene.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_fene_expand.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_gromos.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_morse.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_quartic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/bond_table.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/bond_mm3.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/bond_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/bond_fene_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/bond_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/bond_fene_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/bond_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_fene_expand_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_fene_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_gromos_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_harmonic_shift_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_harmonic_shift_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_nonlinear_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_quartic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/bond_table_omp.h"
diff --git a/doc/styles/packages_command.h b/doc/styles/packages_command.h
new file mode 100644
index 0000000000..a43ab14a62
--- /dev/null
+++ b/doc/styles/packages_command.h
@@ -0,0 +1,51 @@
+#undef PACKAGE
+#define PACKAGE "COLVARS"
+#include "COLVARS/group_ndx.h"
+#undef PACKAGE
+#define PACKAGE "COLVARS"
+#include "COLVARS/ndx_group.h"
+#undef PACKAGE
+#define PACKAGE "KIM"
+#include "KIM/kim_command.h"
+#undef PACKAGE
+#define PACKAGE "MDI"
+#include "MDI/mdi_command.h"
+#undef PACKAGE
+#define PACKAGE "PHONON"
+#include "PHONON/dynamical_matrix.h"
+#undef PACKAGE
+#define PACKAGE "PHONON"
+#include "PHONON/third_order.h"
+#undef PACKAGE
+#define PACKAGE "PLUGIN"
+#include "PLUGIN/plugin.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/hyper.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/neb.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/prd.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/tad.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/temper.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/temper_grem.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/temper_npt.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/neb_spin.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dynamical_matrix_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/third_order_kokkos.h"
diff --git a/doc/styles/packages_command.h.tmp b/doc/styles/packages_command.h.tmp
new file mode 100644
index 0000000000..a43ab14a62
--- /dev/null
+++ b/doc/styles/packages_command.h.tmp
@@ -0,0 +1,51 @@
+#undef PACKAGE
+#define PACKAGE "COLVARS"
+#include "COLVARS/group_ndx.h"
+#undef PACKAGE
+#define PACKAGE "COLVARS"
+#include "COLVARS/ndx_group.h"
+#undef PACKAGE
+#define PACKAGE "KIM"
+#include "KIM/kim_command.h"
+#undef PACKAGE
+#define PACKAGE "MDI"
+#include "MDI/mdi_command.h"
+#undef PACKAGE
+#define PACKAGE "PHONON"
+#include "PHONON/dynamical_matrix.h"
+#undef PACKAGE
+#define PACKAGE "PHONON"
+#include "PHONON/third_order.h"
+#undef PACKAGE
+#define PACKAGE "PLUGIN"
+#include "PLUGIN/plugin.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/hyper.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/neb.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/prd.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/tad.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/temper.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/temper_grem.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/temper_npt.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/neb_spin.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dynamical_matrix_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/third_order_kokkos.h"
diff --git a/doc/styles/packages_compute.h b/doc/styles/packages_compute.h
new file mode 100644
index 0000000000..6e812c93a0
--- /dev/null
+++ b/doc/styles/packages_compute.h
@@ -0,0 +1,303 @@
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/compute_erotate_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/compute_temp_asphere.h"
+#undef PACKAGE
+#define PACKAGE "BOCS"
+#include "BOCS/compute_pressure_bocs.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/compute_body_local.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/compute_temp_body.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/compute_nbond_atom.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/compute_efield_atom.h"
+#undef PACKAGE
+#define PACKAGE "DIFFRACTION"
+#include "DIFFRACTION/compute_saed.h"
+#undef PACKAGE
+#define PACKAGE "DIFFRACTION"
+#include "DIFFRACTION/compute_xrd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/compute_edpd_temp_atom.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/compute_tdpd_cc_atom.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/compute_dpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/compute_dpd_atom.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/compute_temp_drude.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_ke_atom_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_ke_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_temp_deform_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_temp_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_temp_region_eff.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_ackland_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_adf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_ave_sphere_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_basal_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_born_matrix.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_cnp_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_entropy_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_gyration_shape.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_gyration_shape_chunk.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_hexorder_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_hma.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_momentum.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_msd_nongauss.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_cartesian.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_cylinder.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_mop.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_mop_profile.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_spherical.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_temp_rotate.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_ti.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/compute_fep.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/compute_fep_ta.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/compute_contact_atom.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/compute_fabric.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_contact_radius.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_damage.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_hourglass_error.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_internal_energy.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_plastic_strain.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_plastic_strain_rate.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_rho.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_defgrad.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_dt.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_num_neighs.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_shape.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_strain.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_strain_rate.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_stress.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_triangle_vertices.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_effm.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_num_neighs.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_strain.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_strain_rate.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_stress.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_vol.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/compute_mesont.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/compute_viscosity_cos.h"
+#undef PACKAGE
+#define PACKAGE "ML-IAP"
+#include "ML-IAP/compute_mliap.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_sna_atom.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_snad_atom.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_snap.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_snav_atom.h"
+#undef PACKAGE
+#define PACKAGE "ML-POD"
+#include "ML-POD/compute_podfit.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/compute_damage_atom.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/compute_dilatation_atom.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/compute_plasticity_atom.h"
+#undef PACKAGE
+#define PACKAGE "PTM"
+#include "PTM/compute_ptm_atom.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/compute_spec_atom.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/compute_event_displace.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/compute_pressure_grem.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/compute_erotate_rigid.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/compute_ke_rigid.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/compute_rigid_local.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/compute_sph_e_atom.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/compute_sph_rho_atom.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/compute_sph_t_atom.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/compute_spin.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_force_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_heat_flux_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_heat_flux_virial_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_pe_mol_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_pe_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_stress_tally.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/compute_pressure_uef.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/compute_temp_uef.h"
+#undef PACKAGE
+#define PACKAGE "VORONOI"
+#include "VORONOI/compute_voronoi_atom.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/compute_temp_cs.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_ave_sphere_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_coord_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_orientorder_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_temp_deform_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_temp_kokkos.h"
diff --git a/doc/styles/packages_compute.h.tmp b/doc/styles/packages_compute.h.tmp
new file mode 100644
index 0000000000..6e812c93a0
--- /dev/null
+++ b/doc/styles/packages_compute.h.tmp
@@ -0,0 +1,303 @@
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/compute_erotate_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/compute_temp_asphere.h"
+#undef PACKAGE
+#define PACKAGE "BOCS"
+#include "BOCS/compute_pressure_bocs.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/compute_body_local.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/compute_temp_body.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/compute_nbond_atom.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/compute_efield_atom.h"
+#undef PACKAGE
+#define PACKAGE "DIFFRACTION"
+#include "DIFFRACTION/compute_saed.h"
+#undef PACKAGE
+#define PACKAGE "DIFFRACTION"
+#include "DIFFRACTION/compute_xrd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/compute_edpd_temp_atom.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/compute_tdpd_cc_atom.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/compute_dpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/compute_dpd_atom.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/compute_temp_drude.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_ke_atom_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_ke_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_temp_deform_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_temp_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/compute_temp_region_eff.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_ackland_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_adf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_ave_sphere_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_basal_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_born_matrix.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_cnp_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_entropy_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_gyration_shape.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_gyration_shape_chunk.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_hexorder_atom.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_hma.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_momentum.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_msd_nongauss.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_cartesian.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_cylinder.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_mop.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_mop_profile.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_stress_spherical.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_temp_rotate.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-COMPUTE"
+#include "EXTRA-COMPUTE/compute_ti.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/compute_fep.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/compute_fep_ta.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/compute_contact_atom.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/compute_fabric.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_contact_radius.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_damage.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_hourglass_error.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_internal_energy.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_plastic_strain.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_plastic_strain_rate.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_rho.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_defgrad.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_dt.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_num_neighs.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_shape.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_strain.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_strain_rate.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_tlsph_stress.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_triangle_vertices.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_effm.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_num_neighs.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_strain.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_strain_rate.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_ulsph_stress.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/compute_smd_vol.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/compute_mesont.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/compute_viscosity_cos.h"
+#undef PACKAGE
+#define PACKAGE "ML-IAP"
+#include "ML-IAP/compute_mliap.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_sna_atom.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_snad_atom.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_snap.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/compute_snav_atom.h"
+#undef PACKAGE
+#define PACKAGE "ML-POD"
+#include "ML-POD/compute_podfit.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/compute_damage_atom.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/compute_dilatation_atom.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/compute_plasticity_atom.h"
+#undef PACKAGE
+#define PACKAGE "PTM"
+#include "PTM/compute_ptm_atom.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/compute_spec_atom.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/compute_event_displace.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/compute_pressure_grem.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/compute_erotate_rigid.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/compute_ke_rigid.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/compute_rigid_local.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/compute_sph_e_atom.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/compute_sph_rho_atom.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/compute_sph_t_atom.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/compute_spin.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_force_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_heat_flux_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_heat_flux_virial_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_pe_mol_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_pe_tally.h"
+#undef PACKAGE
+#define PACKAGE "TALLY"
+#include "TALLY/compute_stress_tally.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/compute_pressure_uef.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/compute_temp_uef.h"
+#undef PACKAGE
+#define PACKAGE "VORONOI"
+#include "VORONOI/compute_voronoi_atom.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/compute_temp_cs.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_ave_sphere_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_coord_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_orientorder_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_temp_deform_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/compute_temp_kokkos.h"
diff --git a/doc/styles/packages_dihedral.h b/doc/styles/packages_dihedral.h
new file mode 100644
index 0000000000..774fb4ad6f
--- /dev/null
+++ b/doc/styles/packages_dihedral.h
@@ -0,0 +1,99 @@
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/dihedral_class2.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_cosine_shift_exp.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_fourier.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_helix.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_nharmonic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_quadratic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_spherical.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_table_cut.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_charmm.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_charmmfsw.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_multi_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_opls.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_table.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_charmm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_opls_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_charmm_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_fourier_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_opls_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_charmm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_cosine_shift_exp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_fourier_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_helix_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_multi_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_nharmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_opls_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_quadratic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_table_omp.h"
diff --git a/doc/styles/packages_dihedral.h.tmp b/doc/styles/packages_dihedral.h.tmp
new file mode 100644
index 0000000000..774fb4ad6f
--- /dev/null
+++ b/doc/styles/packages_dihedral.h.tmp
@@ -0,0 +1,99 @@
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/dihedral_class2.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_cosine_shift_exp.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_fourier.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_helix.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_nharmonic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_quadratic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_spherical.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/dihedral_table_cut.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_charmm.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_charmmfsw.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_multi_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_opls.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/dihedral_table.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_charmm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/dihedral_opls_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_charmm_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_fourier_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/dihedral_opls_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_charmm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_cosine_shift_exp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_fourier_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_helix_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_multi_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_nharmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_opls_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_quadratic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/dihedral_table_omp.h"
diff --git a/doc/styles/packages_dump.h b/doc/styles/packages_dump.h
new file mode 100644
index 0000000000..9f4e262b46
--- /dev/null
+++ b/doc/styles/packages_dump.h
@@ -0,0 +1,75 @@
+#undef PACKAGE
+#define PACKAGE "ADIOS"
+#include "ADIOS/dump_atom_adios.h"
+#undef PACKAGE
+#define PACKAGE "ADIOS"
+#include "ADIOS/dump_custom_adios.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_atom_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_atom_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_cfg_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_cfg_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_custom_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_custom_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_local_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_local_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_xyz_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_xyz_zstd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-DUMP"
+#include "EXTRA-DUMP/dump_dcd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-DUMP"
+#include "EXTRA-DUMP/dump_xtc.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-DUMP"
+#include "EXTRA-DUMP/dump_yaml.h"
+#undef PACKAGE
+#define PACKAGE "H5MD"
+#include "H5MD/dump_h5md.h"
+#undef PACKAGE
+#define PACKAGE "MOLFILE"
+#include "MOLFILE/dump_molfile.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_atom_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_cfg_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_custom_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_xyz_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "NETCDF"
+#include "NETCDF/dump_netcdf.h"
+#undef PACKAGE
+#define PACKAGE "NETCDF"
+#include "NETCDF/dump_netcdf_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/dump_cfg_uef.h"
+#undef PACKAGE
+#define PACKAGE "VTK"
+#include "VTK/dump_vtk.h"
diff --git a/doc/styles/packages_dump.h.tmp b/doc/styles/packages_dump.h.tmp
new file mode 100644
index 0000000000..9f4e262b46
--- /dev/null
+++ b/doc/styles/packages_dump.h.tmp
@@ -0,0 +1,75 @@
+#undef PACKAGE
+#define PACKAGE "ADIOS"
+#include "ADIOS/dump_atom_adios.h"
+#undef PACKAGE
+#define PACKAGE "ADIOS"
+#include "ADIOS/dump_custom_adios.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_atom_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_atom_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_cfg_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_cfg_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_custom_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_custom_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_local_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_local_zstd.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_xyz_gz.h"
+#undef PACKAGE
+#define PACKAGE "COMPRESS"
+#include "COMPRESS/dump_xyz_zstd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-DUMP"
+#include "EXTRA-DUMP/dump_dcd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-DUMP"
+#include "EXTRA-DUMP/dump_xtc.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-DUMP"
+#include "EXTRA-DUMP/dump_yaml.h"
+#undef PACKAGE
+#define PACKAGE "H5MD"
+#include "H5MD/dump_h5md.h"
+#undef PACKAGE
+#define PACKAGE "MOLFILE"
+#include "MOLFILE/dump_molfile.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_atom_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_cfg_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_custom_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "MPIIO"
+#include "MPIIO/dump_xyz_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "NETCDF"
+#include "NETCDF/dump_netcdf.h"
+#undef PACKAGE
+#define PACKAGE "NETCDF"
+#include "NETCDF/dump_netcdf_mpiio.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/dump_cfg_uef.h"
+#undef PACKAGE
+#define PACKAGE "VTK"
+#include "VTK/dump_vtk.h"
diff --git a/doc/styles/packages_fix.h b/doc/styles/packages_fix.h
new file mode 100644
index 0000000000..4023c72ea6
--- /dev/null
+++ b/doc/styles/packages_fix.h
@@ -0,0 +1,762 @@
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nph_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_npt_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_asphere_noforce.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_line.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_tri.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nvt_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ATC"
+#include "ATC/fix_atc.h"
+#undef PACKAGE
+#define PACKAGE "AWPMD"
+#include "AWPMD/fix_nve_awpmd.h"
+#undef PACKAGE
+#define PACKAGE "BOCS"
+#include "BOCS/fix_bocs.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_nph_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_npt_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_nve_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_nvt_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_wall_body_polygon.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_wall_body_polyhedron.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/fix_nve_bpm_sphere.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_brownian.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_brownian_asphere.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_brownian_sphere.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_propel_self.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/fix_nve_dot.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/fix_nve_dotc_langevin.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/fix_wall_colloid.h"
+#undef PACKAGE
+#define PACKAGE "COLVARS"
+#include "COLVARS/fix_colvars.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/fix_polarize_bem_gmres.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/fix_polarize_bem_icc.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/fix_polarize_functional.h"
+#undef PACKAGE
+#define PACKAGE "DIFFRACTION"
+#include "DIFFRACTION/fix_saed_vtk.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_edpd_source.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_mvv_dpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_mvv_edpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_mvv_tdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_tdpd_source.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_dpd_energy.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_eos_cv.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_eos_table.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_eos_table_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_shardlow.h"
+#undef PACKAGE
+#define PACKAGE "DPD-SMOOTH"
+#include "DPD-SMOOTH/fix_meso_move.h"
+#undef PACKAGE
+#define PACKAGE "DPD-SMOOTH"
+#include "DPD-SMOOTH/fix_rigid_meso.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_drude.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_drude_transform.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_langevin_drude.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_tgnpt_drude.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_tgnvt_drude.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_langevin_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nph_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_npt_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nve_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nvt_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nvt_sllod_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_temp_rescale_eff.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/fix_electrode_conp.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/fix_electrode_conq.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/fix_electrode_thermo.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_addtorque.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ave_correlate_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_controller.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_drag.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_electron_stopping.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_electron_stopping_fit.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ffl.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_filter_corotate.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_flow_gauss.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_gld.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_gle.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_momentum_chunk.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_npt_cauchy.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_numdiff.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_numdiff_virial.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_nvk.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_oneway.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_pafi.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_rhok.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_smd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_spring_rg.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_temp_csld.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_temp_csvr.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ti_spring.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_tmd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ttm.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ttm_grid.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ttm_mod.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_viscosity.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_viscous_sphere.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_wall_ees.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_wall_reflect_stochastic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_wall_region_ees.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/fix_adapt_fep.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_damping_cundall.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_freeze.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_pour.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_wall_gran.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_wall_gran_region.h"
+#undef PACKAGE
+#define PACKAGE "KIM"
+#include "KIM/fix_store_kim.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/fix_tune_kspace.h"
+#undef PACKAGE
+#define PACKAGE "LATBOLTZ"
+#include "LATBOLTZ/fix_lb_fluid.h"
+#undef PACKAGE
+#define PACKAGE "LATBOLTZ"
+#include "LATBOLTZ/fix_lb_momentum.h"
+#undef PACKAGE
+#define PACKAGE "LATBOLTZ"
+#include "LATBOLTZ/fix_lb_viscous.h"
+#undef PACKAGE
+#define PACKAGE "LATTE"
+#include "LATTE/fix_latte.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_adjust_dt.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_integrate_tlsph.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_integrate_ulsph.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_move_triangulated_surface.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_setvel.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_tlsph_reference_configuration.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_wall_surface.h"
+#undef PACKAGE
+#define PACKAGE "MANIFOLD"
+#include "MANIFOLD/fix_manifoldforce.h"
+#undef PACKAGE
+#define PACKAGE "MANIFOLD"
+#include "MANIFOLD/fix_nve_manifold_rattle.h"
+#undef PACKAGE
+#define PACKAGE "MANIFOLD"
+#include "MANIFOLD/fix_nvt_manifold_rattle.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/fix_qeq_comb.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_atom_swap.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_break.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_create.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_create_angle.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_swap.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_charge_regulation.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_gcmc.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_mol_swap.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_tfmc.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_widom.h"
+#undef PACKAGE
+#define PACKAGE "MDI"
+#include "MDI/fix_mdi_aimd.h"
+#undef PACKAGE
+#define PACKAGE "MDI"
+#include "MDI/fix_mdi_engine.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_accelerate_cos.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_imd.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_ipi.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_srp.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/fix_cmap.h"
+#undef PACKAGE
+#define PACKAGE "MSCG"
+#include "MSCG/fix_mscg.h"
+#undef PACKAGE
+#define PACKAGE "ORIENT"
+#include "ORIENT/fix_orient_bcc.h"
+#undef PACKAGE
+#define PACKAGE "ORIENT"
+#include "ORIENT/fix_orient_eco.h"
+#undef PACKAGE
+#define PACKAGE "ORIENT"
+#include "ORIENT/fix_orient_fcc.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/fix_peri_neigh.h"
+#undef PACKAGE
+#define PACKAGE "PHONON"
+#include "PHONON/fix_phonon.h"
+#undef PACKAGE
+#define PACKAGE "PLUMED"
+#include "PLUMED/fix_plumed.h"
+#undef PACKAGE
+#define PACKAGE "POEMS"
+#include "POEMS/fix_poems.h"
+#undef PACKAGE
+#define PACKAGE "PYTHON"
+#include "PYTHON/fix_python_invoke.h"
+#undef PACKAGE
+#define PACKAGE "PYTHON"
+#include "PYTHON/fix_python_move.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_dynamic.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_fire.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_point.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_shielded.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_slater.h"
+#undef PACKAGE
+#define PACKAGE "QMMM"
+#include "QMMM/fix_qmmm.h"
+#undef PACKAGE
+#define PACKAGE "QTB"
+#include "QTB/fix_qbmsst.h"
+#undef PACKAGE
+#define PACKAGE "QTB"
+#include "QTB/fix_qtb.h"
+#undef PACKAGE
+#define PACKAGE "REACTION"
+#include "REACTION/fix_bond_react.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_acks2_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_qeq_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_reaxff_bonds.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_reaxff_species.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_event_hyper.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_event_prd.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_event_tad.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_grem.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_hyper_global.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_hyper_local.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_neb.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_pimd.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_ehex.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rattle.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nph.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nph_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_npt.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_npt_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nve.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nve_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nvt.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nvt_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_shake.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_append_atoms.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_msst.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_nphug.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_wall_piston.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/fix_sph.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/fix_sph_stationary.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_langevin_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_neb_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_nve_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_precession_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_setforce_spin.h"
+#undef PACKAGE
+#define PACKAGE "SRD"
+#include "SRD/fix_srd.h"
+#undef PACKAGE
+#define PACKAGE "SRD"
+#include "SRD/fix_wall_srd.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/fix_npt_uef.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/fix_nvt_uef.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_npt_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_nve_asphere_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_nve_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_nvt_gpu.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_acks2_reaxff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_deform_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_dpd_energy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_enforce2d_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_eos_table_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_freeze_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_gravity_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_langevin_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_minimize_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_momentum_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_neigh_history_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nph_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_npt_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nve_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nve_sphere_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nvt_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nvt_sllod_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_property_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_qeq_reaxff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_reaxff_bonds_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_reaxff_species_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_setforce_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_shake_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_shardlow_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_wall_lj93_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_wall_reflect_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_electrode_conp_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_electrode_conq_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_electrode_thermo_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_npt_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nve_asphere_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nve_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nvt_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nvt_sllod_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_gravity_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_neigh_history_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nph_asphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nph_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nph_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_npt_asphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_npt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_npt_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nve_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nve_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_asphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_sllod_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_qeq_comb_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_qeq_reaxff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_nph_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_npt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_nve_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_nvt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_small_omp.h"
diff --git a/doc/styles/packages_fix.h.tmp b/doc/styles/packages_fix.h.tmp
new file mode 100644
index 0000000000..4023c72ea6
--- /dev/null
+++ b/doc/styles/packages_fix.h.tmp
@@ -0,0 +1,762 @@
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nph_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_npt_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_asphere_noforce.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_line.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nve_tri.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/fix_nvt_asphere.h"
+#undef PACKAGE
+#define PACKAGE "ATC"
+#include "ATC/fix_atc.h"
+#undef PACKAGE
+#define PACKAGE "AWPMD"
+#include "AWPMD/fix_nve_awpmd.h"
+#undef PACKAGE
+#define PACKAGE "BOCS"
+#include "BOCS/fix_bocs.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_nph_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_npt_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_nve_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_nvt_body.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_wall_body_polygon.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/fix_wall_body_polyhedron.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/fix_nve_bpm_sphere.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_brownian.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_brownian_asphere.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_brownian_sphere.h"
+#undef PACKAGE
+#define PACKAGE "BROWNIAN"
+#include "BROWNIAN/fix_propel_self.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/fix_nve_dot.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/fix_nve_dotc_langevin.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/fix_wall_colloid.h"
+#undef PACKAGE
+#define PACKAGE "COLVARS"
+#include "COLVARS/fix_colvars.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/fix_polarize_bem_gmres.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/fix_polarize_bem_icc.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/fix_polarize_functional.h"
+#undef PACKAGE
+#define PACKAGE "DIFFRACTION"
+#include "DIFFRACTION/fix_saed_vtk.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_edpd_source.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_mvv_dpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_mvv_edpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_mvv_tdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/fix_tdpd_source.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_dpd_energy.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_eos_cv.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_eos_table.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_eos_table_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/fix_shardlow.h"
+#undef PACKAGE
+#define PACKAGE "DPD-SMOOTH"
+#include "DPD-SMOOTH/fix_meso_move.h"
+#undef PACKAGE
+#define PACKAGE "DPD-SMOOTH"
+#include "DPD-SMOOTH/fix_rigid_meso.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_drude.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_drude_transform.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_langevin_drude.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_tgnpt_drude.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/fix_tgnvt_drude.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_langevin_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nph_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_npt_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nve_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nvt_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_nvt_sllod_eff.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/fix_temp_rescale_eff.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/fix_electrode_conp.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/fix_electrode_conq.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/fix_electrode_thermo.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_addtorque.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ave_correlate_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_controller.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_drag.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_electron_stopping.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_electron_stopping_fit.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ffl.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_filter_corotate.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_flow_gauss.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_gld.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_gle.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_momentum_chunk.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_npt_cauchy.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_numdiff.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_numdiff_virial.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_nvk.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_oneway.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_pafi.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_rhok.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_smd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_spring_rg.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_temp_csld.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_temp_csvr.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ti_spring.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_tmd.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ttm.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ttm_grid.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_ttm_mod.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_viscosity.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_viscous_sphere.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_wall_ees.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_wall_reflect_stochastic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-FIX"
+#include "EXTRA-FIX/fix_wall_region_ees.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/fix_adapt_fep.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_damping_cundall.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_freeze.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_pour.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_wall_gran.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/fix_wall_gran_region.h"
+#undef PACKAGE
+#define PACKAGE "KIM"
+#include "KIM/fix_store_kim.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/fix_tune_kspace.h"
+#undef PACKAGE
+#define PACKAGE "LATBOLTZ"
+#include "LATBOLTZ/fix_lb_fluid.h"
+#undef PACKAGE
+#define PACKAGE "LATBOLTZ"
+#include "LATBOLTZ/fix_lb_momentum.h"
+#undef PACKAGE
+#define PACKAGE "LATBOLTZ"
+#include "LATBOLTZ/fix_lb_viscous.h"
+#undef PACKAGE
+#define PACKAGE "LATTE"
+#include "LATTE/fix_latte.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_adjust_dt.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_integrate_tlsph.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_integrate_ulsph.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_move_triangulated_surface.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_setvel.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_tlsph_reference_configuration.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/fix_smd_wall_surface.h"
+#undef PACKAGE
+#define PACKAGE "MANIFOLD"
+#include "MANIFOLD/fix_manifoldforce.h"
+#undef PACKAGE
+#define PACKAGE "MANIFOLD"
+#include "MANIFOLD/fix_nve_manifold_rattle.h"
+#undef PACKAGE
+#define PACKAGE "MANIFOLD"
+#include "MANIFOLD/fix_nvt_manifold_rattle.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/fix_qeq_comb.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_atom_swap.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_break.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_create.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_create_angle.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_bond_swap.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_charge_regulation.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_gcmc.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_mol_swap.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_tfmc.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/fix_widom.h"
+#undef PACKAGE
+#define PACKAGE "MDI"
+#include "MDI/fix_mdi_aimd.h"
+#undef PACKAGE
+#define PACKAGE "MDI"
+#include "MDI/fix_mdi_engine.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_accelerate_cos.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_imd.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_ipi.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/fix_srp.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/fix_cmap.h"
+#undef PACKAGE
+#define PACKAGE "MSCG"
+#include "MSCG/fix_mscg.h"
+#undef PACKAGE
+#define PACKAGE "ORIENT"
+#include "ORIENT/fix_orient_bcc.h"
+#undef PACKAGE
+#define PACKAGE "ORIENT"
+#include "ORIENT/fix_orient_eco.h"
+#undef PACKAGE
+#define PACKAGE "ORIENT"
+#include "ORIENT/fix_orient_fcc.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/fix_peri_neigh.h"
+#undef PACKAGE
+#define PACKAGE "PHONON"
+#include "PHONON/fix_phonon.h"
+#undef PACKAGE
+#define PACKAGE "PLUMED"
+#include "PLUMED/fix_plumed.h"
+#undef PACKAGE
+#define PACKAGE "POEMS"
+#include "POEMS/fix_poems.h"
+#undef PACKAGE
+#define PACKAGE "PYTHON"
+#include "PYTHON/fix_python_invoke.h"
+#undef PACKAGE
+#define PACKAGE "PYTHON"
+#include "PYTHON/fix_python_move.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_dynamic.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_fire.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_point.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_shielded.h"
+#undef PACKAGE
+#define PACKAGE "QEQ"
+#include "QEQ/fix_qeq_slater.h"
+#undef PACKAGE
+#define PACKAGE "QMMM"
+#include "QMMM/fix_qmmm.h"
+#undef PACKAGE
+#define PACKAGE "QTB"
+#include "QTB/fix_qbmsst.h"
+#undef PACKAGE
+#define PACKAGE "QTB"
+#include "QTB/fix_qtb.h"
+#undef PACKAGE
+#define PACKAGE "REACTION"
+#include "REACTION/fix_bond_react.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_acks2_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_qeq_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_reaxff_bonds.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/fix_reaxff_species.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_event_hyper.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_event_prd.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_event_tad.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_grem.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_hyper_global.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_hyper_local.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_neb.h"
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/fix_pimd.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_ehex.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rattle.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nph.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nph_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_npt.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_npt_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nve.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nve_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nvt.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_nvt_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_rigid_small.h"
+#undef PACKAGE
+#define PACKAGE "RIGID"
+#include "RIGID/fix_shake.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_append_atoms.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_msst.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_nphug.h"
+#undef PACKAGE
+#define PACKAGE "SHOCK"
+#include "SHOCK/fix_wall_piston.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/fix_sph.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/fix_sph_stationary.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_langevin_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_neb_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_nve_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_precession_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/fix_setforce_spin.h"
+#undef PACKAGE
+#define PACKAGE "SRD"
+#include "SRD/fix_srd.h"
+#undef PACKAGE
+#define PACKAGE "SRD"
+#include "SRD/fix_wall_srd.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/fix_npt_uef.h"
+#undef PACKAGE
+#define PACKAGE "UEF"
+#include "UEF/fix_nvt_uef.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_npt_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_nve_asphere_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_nve_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/fix_nvt_gpu.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_acks2_reaxff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_deform_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_dpd_energy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_enforce2d_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_eos_table_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_freeze_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_gravity_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_langevin_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_minimize_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_momentum_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_neigh_history_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nph_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_npt_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nve_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nve_sphere_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nvt_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_nvt_sllod_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_property_atom_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_qeq_reaxff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_reaxff_bonds_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_reaxff_species_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_setforce_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_shake_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_shardlow_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_wall_lj93_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/fix_wall_reflect_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_electrode_conp_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_electrode_conq_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_electrode_thermo_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_npt_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nve_asphere_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nve_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nvt_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/fix_nvt_sllod_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_gravity_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_neigh_history_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nph_asphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nph_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nph_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_npt_asphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_npt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_npt_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nve_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nve_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_asphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_sllod_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_nvt_sphere_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_qeq_comb_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_qeq_reaxff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_nph_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_npt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_nve_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_nvt_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/fix_rigid_small_omp.h"
diff --git a/doc/styles/packages_improper.h b/doc/styles/packages_improper.h
new file mode 100644
index 0000000000..102903b8e1
--- /dev/null
+++ b/doc/styles/packages_improper.h
@@ -0,0 +1,66 @@
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/improper_class2.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_cossq.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_distance.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_fourier.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_ring.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/improper_inversion_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/improper_cvff.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/improper_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/improper_umbrella.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/improper_distharm.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/improper_sqdistharm.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/improper_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/improper_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/improper_cvff_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/improper_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_cossq_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_cvff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_fourier_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_ring_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_umbrella_omp.h"
diff --git a/doc/styles/packages_improper.h.tmp b/doc/styles/packages_improper.h.tmp
new file mode 100644
index 0000000000..102903b8e1
--- /dev/null
+++ b/doc/styles/packages_improper.h.tmp
@@ -0,0 +1,66 @@
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/improper_class2.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_cossq.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_distance.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_fourier.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-MOLECULE"
+#include "EXTRA-MOLECULE/improper_ring.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/improper_inversion_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/improper_cvff.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/improper_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/improper_umbrella.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/improper_distharm.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/improper_sqdistharm.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/improper_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/improper_harmonic_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/improper_cvff_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/improper_harmonic_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_cossq_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_cvff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_fourier_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_harmonic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_ring_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/improper_umbrella_omp.h"
diff --git a/doc/styles/packages_integrate.h b/doc/styles/packages_integrate.h
new file mode 100644
index 0000000000..78521d5e52
--- /dev/null
+++ b/doc/styles/packages_integrate.h
@@ -0,0 +1,12 @@
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/verlet_split.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/verlet_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/verlet_lrt_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/respa_omp.h"
diff --git a/doc/styles/packages_integrate.h.tmp b/doc/styles/packages_integrate.h.tmp
new file mode 100644
index 0000000000..78521d5e52
--- /dev/null
+++ b/doc/styles/packages_integrate.h.tmp
@@ -0,0 +1,12 @@
+#undef PACKAGE
+#define PACKAGE "REPLICA"
+#include "REPLICA/verlet_split.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/verlet_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/verlet_lrt_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/respa_omp.h"
diff --git a/doc/styles/packages_kspace.h b/doc/styles/packages_kspace.h
new file mode 100644
index 0000000000..471f0c84b9
--- /dev/null
+++ b/doc/styles/packages_kspace.h
@@ -0,0 +1,99 @@
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/msm_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pppm_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pppm_disp_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/ewald_electrode.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/pppm_electrode.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald_dipole.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald_dipole_spin.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald_disp.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/msm_cg.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_cg.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_dipole.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_dipole_spin.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_disp.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_disp_tip4p.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_stagger.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_tip4p.h"
+#undef PACKAGE
+#define PACKAGE "SCAFACOS"
+#include "SCAFACOS/scafacos.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pppm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pppm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pppm_disp_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pppm_electrode_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pppm_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/ewald_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/msm_cg_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_cg_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_disp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_disp_tip4p_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_tip4p_omp.h"
diff --git a/doc/styles/packages_kspace.h.tmp b/doc/styles/packages_kspace.h.tmp
new file mode 100644
index 0000000000..471f0c84b9
--- /dev/null
+++ b/doc/styles/packages_kspace.h.tmp
@@ -0,0 +1,99 @@
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/msm_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pppm_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pppm_disp_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/ewald_electrode.h"
+#undef PACKAGE
+#define PACKAGE "ELECTRODE"
+#include "ELECTRODE/pppm_electrode.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald_dipole.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald_dipole_spin.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/ewald_disp.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/msm_cg.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_cg.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_dipole.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_dipole_spin.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_disp.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_disp_tip4p.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_stagger.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pppm_tip4p.h"
+#undef PACKAGE
+#define PACKAGE "SCAFACOS"
+#include "SCAFACOS/scafacos.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pppm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pppm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pppm_disp_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pppm_electrode_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pppm_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/ewald_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/msm_cg_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_cg_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_disp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_disp_tip4p_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pppm_tip4p_omp.h"
diff --git a/doc/styles/packages_minimize.h b/doc/styles/packages_minimize.h
new file mode 100644
index 0000000000..5a4e77f867
--- /dev/null
+++ b/doc/styles/packages_minimize.h
@@ -0,0 +1,12 @@
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/min_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/min_spin_cg.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/min_spin_lbfgs.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/min_cg_kokkos.h"
diff --git a/doc/styles/packages_minimize.h.tmp b/doc/styles/packages_minimize.h.tmp
new file mode 100644
index 0000000000..5a4e77f867
--- /dev/null
+++ b/doc/styles/packages_minimize.h.tmp
@@ -0,0 +1,12 @@
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/min_spin.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/min_spin_cg.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/min_spin_lbfgs.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/min_cg_kokkos.h"
diff --git a/doc/styles/packages_nbin.h b/doc/styles/packages_nbin.h
new file mode 100644
index 0000000000..b56c211344
--- /dev/null
+++ b/doc/styles/packages_nbin.h
@@ -0,0 +1,12 @@
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/nbin_ssa.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/nbin_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/nbin_ssa_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/nbin_intel.h"
diff --git a/doc/styles/packages_nbin.h.tmp b/doc/styles/packages_nbin.h.tmp
new file mode 100644
index 0000000000..b56c211344
--- /dev/null
+++ b/doc/styles/packages_nbin.h.tmp
@@ -0,0 +1,12 @@
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/nbin_ssa.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/nbin_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/nbin_ssa_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/nbin_intel.h"
diff --git a/doc/styles/packages_npair.h b/doc/styles/packages_npair.h
new file mode 100644
index 0000000000..8040be6460
--- /dev/null
+++ b/doc/styles/packages_npair.h
@@ -0,0 +1,159 @@
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/npair_half_bin_newton_ssa.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_copy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_halffull_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_skip_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_ssa_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_full_bin_ghost_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_full_bin_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_half_bin_newton_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_half_bin_newton_tri_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_halffull_newtoff_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_halffull_newton_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_skip_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_bin_atomonly_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_bin_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_bin_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_multi_old_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_multi_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_nsq_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_nsq_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_atomonly_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newtoff_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_old_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_old_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_old_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_nsq_newtoff_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_nsq_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_nsq_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_bin_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_bin_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_bin_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_nsq_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_nsq_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_bin_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_bin_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_bin_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_old_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_old_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_old_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_nsq_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_nsq_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_halffull_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_halffull_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_skip_omp.h"
diff --git a/doc/styles/packages_npair.h.tmp b/doc/styles/packages_npair.h.tmp
new file mode 100644
index 0000000000..8040be6460
--- /dev/null
+++ b/doc/styles/packages_npair.h.tmp
@@ -0,0 +1,159 @@
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/npair_half_bin_newton_ssa.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_copy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_halffull_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_skip_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/npair_ssa_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_full_bin_ghost_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_full_bin_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_half_bin_newton_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_half_bin_newton_tri_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_halffull_newtoff_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_halffull_newton_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/npair_skip_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_bin_atomonly_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_bin_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_bin_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_multi_old_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_multi_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_nsq_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_full_nsq_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_atomonly_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newtoff_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_bin_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_old_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_old_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_multi_old_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_nsq_newtoff_ghost_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_nsq_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_nsq_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_bin_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_bin_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_bin_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_nsq_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_respa_nsq_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_bin_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_bin_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_bin_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_old_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_old_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_multi_old_newton_tri_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_nsq_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_half_size_nsq_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_halffull_newtoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_halffull_newton_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/npair_skip_omp.h"
diff --git a/doc/styles/packages_nstencil.h b/doc/styles/packages_nstencil.h
new file mode 100644
index 0000000000..32eba840ca
--- /dev/null
+++ b/doc/styles/packages_nstencil.h
@@ -0,0 +1,6 @@
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/nstencil_half_bin_2d_ssa.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/nstencil_half_bin_3d_ssa.h"
diff --git a/doc/styles/packages_nstencil.h.tmp b/doc/styles/packages_nstencil.h.tmp
new file mode 100644
index 0000000000..32eba840ca
--- /dev/null
+++ b/doc/styles/packages_nstencil.h.tmp
@@ -0,0 +1,6 @@
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/nstencil_half_bin_2d_ssa.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/nstencil_half_bin_3d_ssa.h"
diff --git a/doc/styles/packages_ntopo.h b/doc/styles/packages_ntopo.h
new file mode 100644
index 0000000000..e69de29bb2
diff --git a/doc/styles/packages_ntopo.h.tmp b/doc/styles/packages_ntopo.h.tmp
new file mode 100644
index 0000000000..e69de29bb2
diff --git a/doc/styles/packages_pair.h b/doc/styles/packages_pair.h
new file mode 100644
index 0000000000..2f92e7f415
--- /dev/null
+++ b/doc/styles/packages_pair.h
@@ -0,0 +1,1485 @@
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_gayberne.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_line_lj.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_resquared.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_tri_lj.h"
+#undef PACKAGE
+#define PACKAGE "AWPMD"
+#include "AWPMD/pair_awpmd_cut.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/pair_body_nparticle.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/pair_body_rounded_polygon.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/pair_body_rounded_polyhedron.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/pair_bpm_spring.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna2_coaxstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna2_dh.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna2_excv.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_coaxstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_excv.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_hbond.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_stk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_xstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_dh.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_excv.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_hbond.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_stk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_xstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/pair_lj_sdk.h"
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/pair_lj_sdk_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/pair_lj_sdk_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/pair_lj_class2.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/pair_lj_class2_coul_cut.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/pair_lj_class2_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_brownian.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_brownian_poly.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_colloid.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricate.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricateU.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricateU_poly.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricate_poly.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_yukawa_colloid.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_coul_cut_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_coul_long_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_cut_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_debye_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_long_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_msm_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_long_coul_long_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_cut_dipole_cut.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_cut_dipole_long.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_long_dipole_long.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_sf_dipole_sf.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd_ext.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd_ext_tstat.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd_tstat.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_edpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_mdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_mdpd_rhosum.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_tdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_dpd_fdt.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_dpd_fdt_energy.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_exp6_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_multi_lucy.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_multi_lucy_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_table_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-SMOOTH"
+#include "DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/pair_coul_tt.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/pair_lj_cut_thole_long.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/pair_thole.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/pair_eff_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_beck.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_born_coul_dsf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_born_coul_wolf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_buck_mdf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_cosine_squared.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_cut_global.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_diel.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_exclude.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_slater_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_slater_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_e3b.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_gauss.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_gauss_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_harmonic_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lennard_mdf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj96_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cubic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cut_coul_debye.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cut_coul_dsf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cut_coul_wolf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_expand_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_gromacs.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_gromacs_coul_gromacs.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_mdf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_relres.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_smooth.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_smooth_linear.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_mie_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_momb.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_morse_smooth_linear.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut_coul_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut_split.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_ufm.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_wf_cut.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_coul_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_charmm_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_class2_coul_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_class2_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_class2_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_coul_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_tip4p_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_morse_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_tip4p_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_gran_hertz_history.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_gran_hooke.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_gran_hooke_history.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_granular.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_coul_shield.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_drip.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_ilp_graphene_hbn.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_ilp_tmd.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_kolmogorov_crespi_full.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_kolmogorov_crespi_z.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_lebedeva_z.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_saip_metal.h"
+#undef PACKAGE
+#define PACKAGE "KIM"
+#include "KIM/pair_kim.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_born_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_born_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_buck_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_buck_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_buck_long_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_coul_streitz.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_charmm_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_charmm_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_charmmfsw_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_cut_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_cut_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_cut_tip4p_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_long_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_long_tip4p_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_tip4p_long.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_hertz.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_tlsph.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_triangulated_surface.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_ulsph.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_adp.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_airebo.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_airebo_morse.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_atm.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_bop.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_comb.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_comb3.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_alloy.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_cd.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_fs.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_he.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_edip.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_edip_multi.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eim.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_extep.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_gw.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_gw_zbl.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_lcbop.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_local_density.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_meam_spline.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_meam_sw_spline.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_nb3b_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_polymorphic.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_rebo.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_sw.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_sw_angle_table.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_sw_mod.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_mod.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_mod_c.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_table.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_zbl.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_threebody_table.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_vashishta.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_vashishta_table.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/pair_dsmc.h"
+#undef PACKAGE
+#define PACKAGE "MEAM"
+#include "MEAM/pair_meam.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/pair_mesocnt.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/pair_mesont_tpm.h"
+#undef PACKAGE
+#define PACKAGE "MGPT"
+#include "MGPT/pair_mgpt.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_agni.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_list.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_srp.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_tracker.h"
+#undef PACKAGE
+#define PACKAGE "ML-HDNNP"
+#include "ML-HDNNP/pair_hdnnp.h"
+#undef PACKAGE
+#define PACKAGE "ML-IAP"
+#include "ML-IAP/pair_mliap.h"
+#undef PACKAGE
+#define PACKAGE "ML-PACE"
+#include "ML-PACE/pair_pace.h"
+#undef PACKAGE
+#define PACKAGE "ML-QUIP"
+#include "ML-QUIP/pair_quip.h"
+#undef PACKAGE
+#define PACKAGE "ML-RANN"
+#include "ML-RANN/pair_rann.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/pair_snap.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/pair_buck6d_coul_gauss_dsf.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/pair_buck6d_coul_gauss_long.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_hbond_dreiding_lj.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_hbond_dreiding_morse.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_charmm_coul_charmm.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_charmm_coul_charmm_implicit.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_cut_tip4p_cut.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_tip4p_cut.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_eps.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_lps.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_pmb.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_ves.h"
+#undef PACKAGE
+#define PACKAGE "PYTHON"
+#include "PYTHON/pair_python.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/pair_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "SMTBQ"
+#include "SMTBQ/pair_smatb.h"
+#undef PACKAGE
+#define PACKAGE "SMTBQ"
+#include "SMTBQ/pair_smatb_single.h"
+#undef PACKAGE
+#define PACKAGE "SMTBQ"
+#include "SMTBQ/pair_smtbq.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_heatconduction.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_idealgas.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_lj.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_rhosum.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_taitwater.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_taitwater_morris.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_dipole_cut.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_dipole_long.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_dmi.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_exchange.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_exchange_biquadratic.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_magelec.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_neel.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/pair_lj_switch3_coulgauss_long.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/pair_mm3_switch3_coulgauss_long.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_born_coul_dsf_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_born_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_born_coul_wolf_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_buck_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_coul_wolf_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_lj_class2_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_lj_cut_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_beck_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_long_cs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_wolf_cs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_wolf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_buck_coul_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_buck_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_buck_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_colloid_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_debye_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_dsf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_long_cs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_dpd_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_dpd_tstat_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_eam_alloy_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_eam_fs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_eam_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_gauss_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_gayberne_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj96_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_charmm_coul_charmm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_charmm_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_class2_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_class2_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cubic_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_debye_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_dsf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_msm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_dipole_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_dipole_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_tip4p_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_expand_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_expand_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_gromacs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_sdk_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_sdk_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_sf_dipole_sf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_smooth_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_mie_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_morse_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_resquared_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_soft_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_sw_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_table_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_tersoff_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_tersoff_mod_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_tersoff_zbl_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_ufm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_vashishta_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_yukawa_colloid_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_yukawa_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_zbl_gpu.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_adp_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_buck_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_buck_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_buck_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_debye_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_dsf_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_wolf_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_ext_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_ext_tstat_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_fdt_energy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_tstat_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_eam_alloy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_eam_fs_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_eam_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_exp6_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_gran_hooke_history_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_hybrid_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_hybrid_overlay_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_charmm_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_class2_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_class2_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_debye_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_dsf_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_expand_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_gromacs_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_sdk_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_morse_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_multi_lucy_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_pace_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_reaxff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_snap_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_sw_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_table_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_table_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_tersoff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_tersoff_mod_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_tersoff_zbl_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_vashishta_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_yukawa_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_zbl_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_eam_alloy_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_eam_fs_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_eam_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_ilp_graphene_hbn_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_ilp_tmd_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_charmm_coul_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_cut_coul_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_cut_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_cut_tip4p_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_long_coul_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_morse_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_saip_metal_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_ufm_opt.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_airebo_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_airebo_morse_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_buck_coul_cut_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_buck_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_buck_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_dpd_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_eam_alloy_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_eam_fs_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_eam_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_gayberne_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_charmm_coul_charmm_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_charmm_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_cut_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_cut_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_long_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_rebo_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_sw_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_tersoff_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_adp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_agni_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_airebo_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_airebo_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_beck_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_coul_wolf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_brownian_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_brownian_poly_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_long_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_colloid_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_comb_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_cut_global_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_cut_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_debye_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_diel_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_dsf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_wolf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_dpd_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_dpd_tstat_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eam_alloy_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eam_fs_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eam_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_edip_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eim_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gauss_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gauss_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gayberne_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gran_hertz_history_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gran_hooke_history_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gran_hooke_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_harmonic_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_hbond_dreiding_lj_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_hbond_dreiding_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj96_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_charmm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_class2_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_class2_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cubic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_cut_dielectric_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_cut_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_debye_dielectric_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_debye_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_dsf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_long_dielectric_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_wolf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_dipole_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_thole_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_tip4p_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_tip4p_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_tip4p_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_expand_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_gromacs_coul_gromacs_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_gromacs_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_long_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_long_tip4p_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_relres_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sdk_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sdk_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sdk_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sf_dipole_sf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_smooth_linear_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_smooth_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lubricate_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lubricate_poly_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_meam_spline_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_morse_smooth_linear_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_nm_cut_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_nm_cut_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_nm_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_peri_lps_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_peri_pmb_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_reaxff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_rebo_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_resquared_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_sw_mod_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_sw_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_table_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_mod_c_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_mod_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_table_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_zbl_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tip4p_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tip4p_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tip4p_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_ufm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_vashishta_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_vashishta_table_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_yukawa_colloid_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_yukawa_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_zbl_omp.h"
diff --git a/doc/styles/packages_pair.h.tmp b/doc/styles/packages_pair.h.tmp
new file mode 100644
index 0000000000..2f92e7f415
--- /dev/null
+++ b/doc/styles/packages_pair.h.tmp
@@ -0,0 +1,1485 @@
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_gayberne.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_line_lj.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_resquared.h"
+#undef PACKAGE
+#define PACKAGE "ASPHERE"
+#include "ASPHERE/pair_tri_lj.h"
+#undef PACKAGE
+#define PACKAGE "AWPMD"
+#include "AWPMD/pair_awpmd_cut.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/pair_body_nparticle.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/pair_body_rounded_polygon.h"
+#undef PACKAGE
+#define PACKAGE "BODY"
+#include "BODY/pair_body_rounded_polyhedron.h"
+#undef PACKAGE
+#define PACKAGE "BPM"
+#include "BPM/pair_bpm_spring.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna2_coaxstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna2_dh.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna2_excv.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_coaxstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_excv.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_hbond.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_stk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxdna_xstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_dh.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_excv.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_hbond.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_stk.h"
+#undef PACKAGE
+#define PACKAGE "CG-DNA"
+#include "CG-DNA/pair_oxrna2_xstk.h"
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/pair_lj_sdk.h"
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/pair_lj_sdk_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "CG-SDK"
+#include "CG-SDK/pair_lj_sdk_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/pair_lj_class2.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/pair_lj_class2_coul_cut.h"
+#undef PACKAGE
+#define PACKAGE "CLASS2"
+#include "CLASS2/pair_lj_class2_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_brownian.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_brownian_poly.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_colloid.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricate.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricateU.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricateU_poly.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_lubricate_poly.h"
+#undef PACKAGE
+#define PACKAGE "COLLOID"
+#include "COLLOID/pair_yukawa_colloid.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_coul_cut_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_coul_long_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_cut_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_debye_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_long_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_cut_coul_msm_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIELECTRIC"
+#include "DIELECTRIC/pair_lj_long_coul_long_dielectric.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_cut_dipole_cut.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_cut_dipole_long.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_long_dipole_long.h"
+#undef PACKAGE
+#define PACKAGE "DIPOLE"
+#include "DIPOLE/pair_lj_sf_dipole_sf.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd_ext.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd_ext_tstat.h"
+#undef PACKAGE
+#define PACKAGE "DPD-BASIC"
+#include "DPD-BASIC/pair_dpd_tstat.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_edpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_mdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_mdpd_rhosum.h"
+#undef PACKAGE
+#define PACKAGE "DPD-MESO"
+#include "DPD-MESO/pair_tdpd.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_dpd_fdt.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_dpd_fdt_energy.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_exp6_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_multi_lucy.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_multi_lucy_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-REACT"
+#include "DPD-REACT/pair_table_rx.h"
+#undef PACKAGE
+#define PACKAGE "DPD-SMOOTH"
+#include "DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/pair_coul_tt.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/pair_lj_cut_thole_long.h"
+#undef PACKAGE
+#define PACKAGE "DRUDE"
+#include "DRUDE/pair_thole.h"
+#undef PACKAGE
+#define PACKAGE "EFF"
+#include "EFF/pair_eff_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_beck.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_born_coul_dsf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_born_coul_wolf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_buck_mdf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_cosine_squared.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_cut_global.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_diel.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_exclude.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_slater_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_coul_slater_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_e3b.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_gauss.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_gauss_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_harmonic_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lennard_mdf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj96_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cubic.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cut_coul_debye.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cut_coul_dsf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_cut_coul_wolf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_expand_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_gromacs.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_gromacs_coul_gromacs.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_mdf.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_relres.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_smooth.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_lj_smooth_linear.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_mie_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_momb.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_morse_smooth_linear.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut_coul_cut.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_nm_cut_split.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_ufm.h"
+#undef PACKAGE
+#define PACKAGE "EXTRA-PAIR"
+#include "EXTRA-PAIR/pair_wf_cut.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_coul_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_charmm_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_class2_coul_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_class2_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_class2_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_coul_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_coul_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_lj_cut_tip4p_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_morse_soft.h"
+#undef PACKAGE
+#define PACKAGE "FEP"
+#include "FEP/pair_tip4p_long_soft.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_gran_hertz_history.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_gran_hooke.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_gran_hooke_history.h"
+#undef PACKAGE
+#define PACKAGE "GRANULAR"
+#include "GRANULAR/pair_granular.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_coul_shield.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_drip.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_ilp_graphene_hbn.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_ilp_tmd.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_kolmogorov_crespi_full.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_kolmogorov_crespi_z.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_lebedeva_z.h"
+#undef PACKAGE
+#define PACKAGE "INTERLAYER"
+#include "INTERLAYER/pair_saip_metal.h"
+#undef PACKAGE
+#define PACKAGE "KIM"
+#include "KIM/pair_kim.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_born_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_born_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_buck_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_buck_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_buck_long_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_coul_streitz.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_charmm_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_charmm_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_charmmfsw_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_cut_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_cut_coul_msm.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_cut_tip4p_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_long_coul_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_lj_long_tip4p_long.h"
+#undef PACKAGE
+#define PACKAGE "KSPACE"
+#include "KSPACE/pair_tip4p_long.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_hertz.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_tlsph.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_triangulated_surface.h"
+#undef PACKAGE
+#define PACKAGE "MACHDYN"
+#include "MACHDYN/pair_smd_ulsph.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_adp.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_airebo.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_airebo_morse.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_atm.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_bop.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_comb.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_comb3.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_alloy.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_cd.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_fs.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eam_he.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_edip.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_edip_multi.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_eim.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_extep.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_gw.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_gw_zbl.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_lcbop.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_local_density.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_meam_spline.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_meam_sw_spline.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_nb3b_harmonic.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_polymorphic.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_rebo.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_sw.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_sw_angle_table.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_sw_mod.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_mod.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_mod_c.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_table.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_tersoff_zbl.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_threebody_table.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_vashishta.h"
+#undef PACKAGE
+#define PACKAGE "MANYBODY"
+#include "MANYBODY/pair_vashishta_table.h"
+#undef PACKAGE
+#define PACKAGE "MC"
+#include "MC/pair_dsmc.h"
+#undef PACKAGE
+#define PACKAGE "MEAM"
+#include "MEAM/pair_meam.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/pair_mesocnt.h"
+#undef PACKAGE
+#define PACKAGE "MESONT"
+#include "MESONT/pair_mesont_tpm.h"
+#undef PACKAGE
+#define PACKAGE "MGPT"
+#include "MGPT/pair_mgpt.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_agni.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_list.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_srp.h"
+#undef PACKAGE
+#define PACKAGE "MISC"
+#include "MISC/pair_tracker.h"
+#undef PACKAGE
+#define PACKAGE "ML-HDNNP"
+#include "ML-HDNNP/pair_hdnnp.h"
+#undef PACKAGE
+#define PACKAGE "ML-IAP"
+#include "ML-IAP/pair_mliap.h"
+#undef PACKAGE
+#define PACKAGE "ML-PACE"
+#include "ML-PACE/pair_pace.h"
+#undef PACKAGE
+#define PACKAGE "ML-QUIP"
+#include "ML-QUIP/pair_quip.h"
+#undef PACKAGE
+#define PACKAGE "ML-RANN"
+#include "ML-RANN/pair_rann.h"
+#undef PACKAGE
+#define PACKAGE "ML-SNAP"
+#include "ML-SNAP/pair_snap.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/pair_buck6d_coul_gauss_dsf.h"
+#undef PACKAGE
+#define PACKAGE "MOFFF"
+#include "MOFFF/pair_buck6d_coul_gauss_long.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_hbond_dreiding_lj.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_hbond_dreiding_morse.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_charmm_coul_charmm.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_charmm_coul_charmm_implicit.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_lj_cut_tip4p_cut.h"
+#undef PACKAGE
+#define PACKAGE "MOLECULE"
+#include "MOLECULE/pair_tip4p_cut.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_eps.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_lps.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_pmb.h"
+#undef PACKAGE
+#define PACKAGE "PERI"
+#include "PERI/pair_peri_ves.h"
+#undef PACKAGE
+#define PACKAGE "PYTHON"
+#include "PYTHON/pair_python.h"
+#undef PACKAGE
+#define PACKAGE "REAXFF"
+#include "REAXFF/pair_reaxff.h"
+#undef PACKAGE
+#define PACKAGE "SMTBQ"
+#include "SMTBQ/pair_smatb.h"
+#undef PACKAGE
+#define PACKAGE "SMTBQ"
+#include "SMTBQ/pair_smatb_single.h"
+#undef PACKAGE
+#define PACKAGE "SMTBQ"
+#include "SMTBQ/pair_smtbq.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_heatconduction.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_idealgas.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_lj.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_rhosum.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_taitwater.h"
+#undef PACKAGE
+#define PACKAGE "SPH"
+#include "SPH/pair_sph_taitwater_morris.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_dipole_cut.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_dipole_long.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_dmi.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_exchange.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_exchange_biquadratic.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_magelec.h"
+#undef PACKAGE
+#define PACKAGE "SPIN"
+#include "SPIN/pair_spin_neel.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/pair_lj_switch3_coulgauss_long.h"
+#undef PACKAGE
+#define PACKAGE "YAFF"
+#include "YAFF/pair_mm3_switch3_coulgauss_long.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_born_coul_dsf_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_born_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_born_coul_wolf_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_buck_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_coul_wolf_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_lj_class2_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "CORESHELL"
+#include "CORESHELL/pair_lj_cut_coul_long_cs.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_beck_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_long_cs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_wolf_cs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_coul_wolf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_born_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_buck_coul_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_buck_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_buck_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_colloid_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_debye_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_dsf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_long_cs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_dpd_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_dpd_tstat_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_eam_alloy_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_eam_fs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_eam_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_gauss_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_gayberne_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj96_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_charmm_coul_charmm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_charmm_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_class2_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_class2_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cubic_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_debye_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_dsf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_coul_msm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_dipole_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_dipole_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_cut_tip4p_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_expand_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_expand_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_gromacs_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_sdk_coul_long_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_sdk_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_sf_dipole_sf_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_lj_smooth_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_mie_cut_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_morse_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_resquared_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_soft_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_sw_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_table_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_tersoff_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_tersoff_mod_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_tersoff_zbl_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_ufm_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_vashishta_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_yukawa_colloid_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_yukawa_gpu.h"
+#undef PACKAGE
+#define PACKAGE "GPU"
+#include "GPU/pair_zbl_gpu.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_adp_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_buck_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_buck_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_buck_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_debye_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_dsf_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_coul_wolf_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_ext_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_ext_tstat_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_fdt_energy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_dpd_tstat_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_eam_alloy_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_eam_fs_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_eam_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_exp6_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_gran_hooke_history_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_hybrid_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_hybrid_overlay_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_charmm_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_class2_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_class2_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_class2_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_debye_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_dsf_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_coul_long_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_cut_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_expand_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_gromacs_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_lj_sdk_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_morse_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_multi_lucy_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_pace_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_reaxff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_snap_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_sw_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_table_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_table_rx_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_tersoff_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_tersoff_mod_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_tersoff_zbl_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_vashishta_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_yukawa_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/pair_zbl_kokkos.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_eam_alloy_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_eam_fs_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_eam_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_ilp_graphene_hbn_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_ilp_tmd_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_charmm_coul_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_cut_coul_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_cut_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_cut_tip4p_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_lj_long_coul_long_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_morse_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_saip_metal_opt.h"
+#undef PACKAGE
+#define PACKAGE "OPT"
+#include "OPT/pair_ufm_opt.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_airebo_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_airebo_morse_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_buck_coul_cut_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_buck_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_buck_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_dpd_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_eam_alloy_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_eam_fs_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_eam_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_gayberne_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_charmm_coul_charmm_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_charmm_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_cut_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_cut_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_lj_long_coul_long_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_rebo_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_sw_intel.h"
+#undef PACKAGE
+#define PACKAGE "INTEL"
+#include "INTEL/pair_tersoff_intel.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_adp_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_agni_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_airebo_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_airebo_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_beck_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_coul_wolf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_born_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_brownian_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_brownian_poly_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_long_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_buck_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_colloid_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_comb_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_cut_global_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_cut_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_debye_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_diel_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_dsf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_coul_wolf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_dpd_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_dpd_tstat_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eam_alloy_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eam_fs_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eam_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_edip_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_eim_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gauss_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gauss_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gayberne_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gran_hertz_history_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gran_hooke_history_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_gran_hooke_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_harmonic_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_hbond_dreiding_lj_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_hbond_dreiding_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj96_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_charmm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_charmm_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_class2_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_class2_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_class2_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cubic_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_cut_dielectric_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_cut_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_debye_dielectric_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_debye_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_dsf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_long_dielectric_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_coul_wolf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_dipole_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_thole_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_tip4p_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_tip4p_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_cut_tip4p_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_expand_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_gromacs_coul_gromacs_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_gromacs_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_long_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_long_tip4p_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_relres_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sdk_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sdk_coul_msm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sdk_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_sf_dipole_sf_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_smooth_linear_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lj_smooth_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lubricate_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_lubricate_poly_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_meam_spline_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_morse_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_morse_smooth_linear_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_nm_cut_coul_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_nm_cut_coul_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_nm_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_peri_lps_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_peri_pmb_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_reaxff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_rebo_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_resquared_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_sw_mod_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_sw_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_table_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_mod_c_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_mod_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_table_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tersoff_zbl_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tip4p_cut_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tip4p_long_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_tip4p_long_soft_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_ufm_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_vashishta_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_vashishta_table_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_yukawa_colloid_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_yukawa_omp.h"
+#undef PACKAGE
+#define PACKAGE "OPENMP"
+#include "OPENMP/pair_zbl_omp.h"
diff --git a/doc/styles/packages_reader.h b/doc/styles/packages_reader.h
new file mode 100644
index 0000000000..398c91c92c
--- /dev/null
+++ b/doc/styles/packages_reader.h
@@ -0,0 +1,6 @@
+#undef PACKAGE
+#define PACKAGE "ADIOS"
+#include "ADIOS/reader_adios.h"
+#undef PACKAGE
+#define PACKAGE "MOLFILE"
+#include "MOLFILE/reader_molfile.h"
diff --git a/doc/styles/packages_reader.h.tmp b/doc/styles/packages_reader.h.tmp
new file mode 100644
index 0000000000..398c91c92c
--- /dev/null
+++ b/doc/styles/packages_reader.h.tmp
@@ -0,0 +1,6 @@
+#undef PACKAGE
+#define PACKAGE "ADIOS"
+#include "ADIOS/reader_adios.h"
+#undef PACKAGE
+#define PACKAGE "MOLFILE"
+#include "MOLFILE/reader_molfile.h"
diff --git a/doc/styles/packages_region.h b/doc/styles/packages_region.h
new file mode 100644
index 0000000000..c0b8f666e7
--- /dev/null
+++ b/doc/styles/packages_region.h
@@ -0,0 +1,3 @@
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/region_block_kokkos.h"
diff --git a/doc/styles/packages_region.h.tmp b/doc/styles/packages_region.h.tmp
new file mode 100644
index 0000000000..c0b8f666e7
--- /dev/null
+++ b/doc/styles/packages_region.h.tmp
@@ -0,0 +1,3 @@
+#undef PACKAGE
+#define PACKAGE "KOKKOS"
+#include "KOKKOS/region_block_kokkos.h"
diff --git a/doc/styles/style_angle.h b/doc/styles/style_angle.h
new file mode 100644
index 0000000000..f0df2bd9aa
--- /dev/null
+++ b/doc/styles/style_angle.h
@@ -0,0 +1,8 @@
+#include "angle_charmm.h"
+#include "angle_cosine.h"
+#include "angle_cosine_squared.h"
+#include "angle_deprecated.h"
+#include "angle_harmonic.h"
+#include "angle_hybrid.h"
+#include "angle_table.h"
+#include "angle_zero.h"
diff --git a/doc/styles/style_angle.h.tmp b/doc/styles/style_angle.h.tmp
new file mode 100644
index 0000000000..f0df2bd9aa
--- /dev/null
+++ b/doc/styles/style_angle.h.tmp
@@ -0,0 +1,8 @@
+#include "angle_charmm.h"
+#include "angle_cosine.h"
+#include "angle_cosine_squared.h"
+#include "angle_deprecated.h"
+#include "angle_harmonic.h"
+#include "angle_hybrid.h"
+#include "angle_table.h"
+#include "angle_zero.h"
diff --git a/doc/styles/style_atom.h b/doc/styles/style_atom.h
new file mode 100644
index 0000000000..ae15a5cb9b
--- /dev/null
+++ b/doc/styles/style_atom.h
@@ -0,0 +1,13 @@
+#include "atom_vec_angle.h"
+#include "atom_vec_atomic.h"
+#include "atom_vec_body.h"
+#include "atom_vec_bond.h"
+#include "atom_vec_charge.h"
+#include "atom_vec_ellipsoid.h"
+#include "atom_vec_full.h"
+#include "atom_vec_hybrid.h"
+#include "atom_vec_line.h"
+#include "atom_vec_molecular.h"
+#include "atom_vec_sphere.h"
+#include "atom_vec_template.h"
+#include "atom_vec_tri.h"
diff --git a/doc/styles/style_atom.h.tmp b/doc/styles/style_atom.h.tmp
new file mode 100644
index 0000000000..ae15a5cb9b
--- /dev/null
+++ b/doc/styles/style_atom.h.tmp
@@ -0,0 +1,13 @@
+#include "atom_vec_angle.h"
+#include "atom_vec_atomic.h"
+#include "atom_vec_body.h"
+#include "atom_vec_bond.h"
+#include "atom_vec_charge.h"
+#include "atom_vec_ellipsoid.h"
+#include "atom_vec_full.h"
+#include "atom_vec_hybrid.h"
+#include "atom_vec_line.h"
+#include "atom_vec_molecular.h"
+#include "atom_vec_sphere.h"
+#include "atom_vec_template.h"
+#include "atom_vec_tri.h"
diff --git a/doc/styles/style_body.h b/doc/styles/style_body.h
new file mode 100644
index 0000000000..e69de29bb2
diff --git a/doc/styles/style_body.h.tmp b/doc/styles/style_body.h.tmp
new file mode 100644
index 0000000000..e69de29bb2
diff --git a/doc/styles/style_bond.h b/doc/styles/style_bond.h
new file mode 100644
index 0000000000..3268f2d671
--- /dev/null
+++ b/doc/styles/style_bond.h
@@ -0,0 +1,10 @@
+#include "bond_deprecated.h"
+#include "bond_fene.h"
+#include "bond_fene_expand.h"
+#include "bond_gromos.h"
+#include "bond_harmonic.h"
+#include "bond_hybrid.h"
+#include "bond_morse.h"
+#include "bond_quartic.h"
+#include "bond_table.h"
+#include "bond_zero.h"
diff --git a/doc/styles/style_bond.h.tmp b/doc/styles/style_bond.h.tmp
new file mode 100644
index 0000000000..3268f2d671
--- /dev/null
+++ b/doc/styles/style_bond.h.tmp
@@ -0,0 +1,10 @@
+#include "bond_deprecated.h"
+#include "bond_fene.h"
+#include "bond_fene_expand.h"
+#include "bond_gromos.h"
+#include "bond_harmonic.h"
+#include "bond_hybrid.h"
+#include "bond_morse.h"
+#include "bond_quartic.h"
+#include "bond_table.h"
+#include "bond_zero.h"
diff --git a/doc/styles/style_command.h b/doc/styles/style_command.h
new file mode 100644
index 0000000000..423ff2db3f
--- /dev/null
+++ b/doc/styles/style_command.h
@@ -0,0 +1,25 @@
+#include "balance.h"
+#include "change_box.h"
+#include "create_atoms.h"
+#include "create_bonds.h"
+#include "create_box.h"
+#include "delete_atoms.h"
+#include "delete_bonds.h"
+#include "deprecated.h"
+#include "displace_atoms.h"
+#include "info.h"
+#include "minimize.h"
+#include "read_data.h"
+#include "read_dump.h"
+#include "read_restart.h"
+#include "replicate.h"
+#include "rerun.h"
+#include "reset_atom_ids.h"
+#include "reset_mol_ids.h"
+#include "run.h"
+#include "set.h"
+#include "velocity.h"
+#include "write_coeff.h"
+#include "write_data.h"
+#include "write_dump.h"
+#include "write_restart.h"
diff --git a/doc/styles/style_command.h.tmp b/doc/styles/style_command.h.tmp
new file mode 100644
index 0000000000..423ff2db3f
--- /dev/null
+++ b/doc/styles/style_command.h.tmp
@@ -0,0 +1,25 @@
+#include "balance.h"
+#include "change_box.h"
+#include "create_atoms.h"
+#include "create_bonds.h"
+#include "create_box.h"
+#include "delete_atoms.h"
+#include "delete_bonds.h"
+#include "deprecated.h"
+#include "displace_atoms.h"
+#include "info.h"
+#include "minimize.h"
+#include "read_data.h"
+#include "read_dump.h"
+#include "read_restart.h"
+#include "replicate.h"
+#include "rerun.h"
+#include "reset_atom_ids.h"
+#include "reset_mol_ids.h"
+#include "run.h"
+#include "set.h"
+#include "velocity.h"
+#include "write_coeff.h"
+#include "write_data.h"
+#include "write_dump.h"
+#include "write_restart.h"
diff --git a/doc/styles/style_compute.h b/doc/styles/style_compute.h
new file mode 100644
index 0000000000..5b63f8064e
--- /dev/null
+++ b/doc/styles/style_compute.h
@@ -0,0 +1,72 @@
+#include "compute_aggregate_atom.h"
+#include "compute_angle.h"
+#include "compute_angle_local.h"
+#include "compute_angmom_chunk.h"
+#include "compute_bond.h"
+#include "compute_bond_local.h"
+#include "compute_centro_atom.h"
+#include "compute_centroid_stress_atom.h"
+#include "compute_chunk_atom.h"
+#include "compute_chunk_spread_atom.h"
+#include "compute_cluster_atom.h"
+#include "compute_cna_atom.h"
+#include "compute_com.h"
+#include "compute_com_chunk.h"
+#include "compute_coord_atom.h"
+#include "compute_deprecated.h"
+#include "compute_dihedral.h"
+#include "compute_dihedral_local.h"
+#include "compute_dipole.h"
+#include "compute_dipole_chunk.h"
+#include "compute_displace_atom.h"
+#include "compute_erotate_rigid.h"
+#include "compute_erotate_sphere.h"
+#include "compute_erotate_sphere_atom.h"
+#include "compute_fragment_atom.h"
+#include "compute_global_atom.h"
+#include "compute_group_group.h"
+#include "compute_gyration.h"
+#include "compute_gyration_chunk.h"
+#include "compute_heat_flux.h"
+#include "compute_improper.h"
+#include "compute_improper_local.h"
+#include "compute_inertia_chunk.h"
+#include "compute_ke.h"
+#include "compute_ke_atom.h"
+#include "compute_ke_rigid.h"
+#include "compute_msd.h"
+#include "compute_msd_chunk.h"
+#include "compute_omega_chunk.h"
+#include "compute_orientorder_atom.h"
+#include "compute_pair.h"
+#include "compute_pair_local.h"
+#include "compute_pe.h"
+#include "compute_pe_atom.h"
+#include "compute_podfit.h"
+#include "compute_pressure.h"
+#include "compute_property_atom.h"
+#include "compute_property_chunk.h"
+#include "compute_property_local.h"
+#include "compute_rdf.h"
+#include "compute_reduce.h"
+#include "compute_reduce_chunk.h"
+#include "compute_reduce_region.h"
+#include "compute_rigid_local.h"
+#include "compute_slice.h"
+#include "compute_sna_atom.h"
+#include "compute_snad_atom.h"
+#include "compute_snap.h"
+#include "compute_snav_atom.h"
+#include "compute_stress_atom.h"
+#include "compute_temp.h"
+#include "compute_temp_chunk.h"
+#include "compute_temp_com.h"
+#include "compute_temp_deform.h"
+#include "compute_temp_partial.h"
+#include "compute_temp_profile.h"
+#include "compute_temp_ramp.h"
+#include "compute_temp_region.h"
+#include "compute_temp_sphere.h"
+#include "compute_torque_chunk.h"
+#include "compute_vacf.h"
+#include "compute_vcm_chunk.h"
diff --git a/doc/styles/style_compute.h.tmp b/doc/styles/style_compute.h.tmp
new file mode 100644
index 0000000000..5b63f8064e
--- /dev/null
+++ b/doc/styles/style_compute.h.tmp
@@ -0,0 +1,72 @@
+#include "compute_aggregate_atom.h"
+#include "compute_angle.h"
+#include "compute_angle_local.h"
+#include "compute_angmom_chunk.h"
+#include "compute_bond.h"
+#include "compute_bond_local.h"
+#include "compute_centro_atom.h"
+#include "compute_centroid_stress_atom.h"
+#include "compute_chunk_atom.h"
+#include "compute_chunk_spread_atom.h"
+#include "compute_cluster_atom.h"
+#include "compute_cna_atom.h"
+#include "compute_com.h"
+#include "compute_com_chunk.h"
+#include "compute_coord_atom.h"
+#include "compute_deprecated.h"
+#include "compute_dihedral.h"
+#include "compute_dihedral_local.h"
+#include "compute_dipole.h"
+#include "compute_dipole_chunk.h"
+#include "compute_displace_atom.h"
+#include "compute_erotate_rigid.h"
+#include "compute_erotate_sphere.h"
+#include "compute_erotate_sphere_atom.h"
+#include "compute_fragment_atom.h"
+#include "compute_global_atom.h"
+#include "compute_group_group.h"
+#include "compute_gyration.h"
+#include "compute_gyration_chunk.h"
+#include "compute_heat_flux.h"
+#include "compute_improper.h"
+#include "compute_improper_local.h"
+#include "compute_inertia_chunk.h"
+#include "compute_ke.h"
+#include "compute_ke_atom.h"
+#include "compute_ke_rigid.h"
+#include "compute_msd.h"
+#include "compute_msd_chunk.h"
+#include "compute_omega_chunk.h"
+#include "compute_orientorder_atom.h"
+#include "compute_pair.h"
+#include "compute_pair_local.h"
+#include "compute_pe.h"
+#include "compute_pe_atom.h"
+#include "compute_podfit.h"
+#include "compute_pressure.h"
+#include "compute_property_atom.h"
+#include "compute_property_chunk.h"
+#include "compute_property_local.h"
+#include "compute_rdf.h"
+#include "compute_reduce.h"
+#include "compute_reduce_chunk.h"
+#include "compute_reduce_region.h"
+#include "compute_rigid_local.h"
+#include "compute_slice.h"
+#include "compute_sna_atom.h"
+#include "compute_snad_atom.h"
+#include "compute_snap.h"
+#include "compute_snav_atom.h"
+#include "compute_stress_atom.h"
+#include "compute_temp.h"
+#include "compute_temp_chunk.h"
+#include "compute_temp_com.h"
+#include "compute_temp_deform.h"
+#include "compute_temp_partial.h"
+#include "compute_temp_profile.h"
+#include "compute_temp_ramp.h"
+#include "compute_temp_region.h"
+#include "compute_temp_sphere.h"
+#include "compute_torque_chunk.h"
+#include "compute_vacf.h"
+#include "compute_vcm_chunk.h"
diff --git a/doc/styles/style_dihedral.h b/doc/styles/style_dihedral.h
new file mode 100644
index 0000000000..34360e2cd1
--- /dev/null
+++ b/doc/styles/style_dihedral.h
@@ -0,0 +1,9 @@
+#include "dihedral_charmm.h"
+#include "dihedral_charmmfsw.h"
+#include "dihedral_deprecated.h"
+#include "dihedral_harmonic.h"
+#include "dihedral_hybrid.h"
+#include "dihedral_multi_harmonic.h"
+#include "dihedral_opls.h"
+#include "dihedral_table.h"
+#include "dihedral_zero.h"
diff --git a/doc/styles/style_dihedral.h.tmp b/doc/styles/style_dihedral.h.tmp
new file mode 100644
index 0000000000..34360e2cd1
--- /dev/null
+++ b/doc/styles/style_dihedral.h.tmp
@@ -0,0 +1,9 @@
+#include "dihedral_charmm.h"
+#include "dihedral_charmmfsw.h"
+#include "dihedral_deprecated.h"
+#include "dihedral_harmonic.h"
+#include "dihedral_hybrid.h"
+#include "dihedral_multi_harmonic.h"
+#include "dihedral_opls.h"
+#include "dihedral_table.h"
+#include "dihedral_zero.h"
diff --git a/doc/styles/style_dump.h b/doc/styles/style_dump.h
new file mode 100644
index 0000000000..ef3643b956
--- /dev/null
+++ b/doc/styles/style_dump.h
@@ -0,0 +1,8 @@
+#include "dump_atom.h"
+#include "dump_cfg.h"
+#include "dump_custom.h"
+#include "dump_deprecated.h"
+#include "dump_image.h"
+#include "dump_local.h"
+#include "dump_movie.h"
+#include "dump_xyz.h"
diff --git a/doc/styles/style_dump.h.tmp b/doc/styles/style_dump.h.tmp
new file mode 100644
index 0000000000..ef3643b956
--- /dev/null
+++ b/doc/styles/style_dump.h.tmp
@@ -0,0 +1,8 @@
+#include "dump_atom.h"
+#include "dump_cfg.h"
+#include "dump_custom.h"
+#include "dump_deprecated.h"
+#include "dump_image.h"
+#include "dump_local.h"
+#include "dump_movie.h"
+#include "dump_xyz.h"
diff --git a/doc/styles/style_fix.h b/doc/styles/style_fix.h
new file mode 100644
index 0000000000..af85543bca
--- /dev/null
+++ b/doc/styles/style_fix.h
@@ -0,0 +1,90 @@
+#include "fix_adapt.h"
+#include "fix_addforce.h"
+#include "fix_ave_atom.h"
+#include "fix_ave_chunk.h"
+#include "fix_ave_correlate.h"
+#include "fix_ave_histo.h"
+#include "fix_ave_histo_weight.h"
+#include "fix_ave_time.h"
+#include "fix_aveforce.h"
+#include "fix_balance.h"
+#include "fix_bond_history.h"
+#include "fix_box_relax.h"
+#include "fix_cmap.h"
+#include "fix_deform.h"
+#include "fix_deposit.h"
+#include "fix_deprecated.h"
+#include "fix_dt_reset.h"
+#include "fix_dummy.h"
+#include "fix_efield.h"
+#include "fix_ehex.h"
+#include "fix_enforce2d.h"
+#include "fix_evaporate.h"
+#include "fix_external.h"
+#include "fix_gravity.h"
+#include "fix_group.h"
+#include "fix_halt.h"
+#include "fix_heat.h"
+#include "fix_indent.h"
+#include "fix_langevin.h"
+#include "fix_lineforce.h"
+#include "fix_minimize.h"
+#include "fix_momentum.h"
+#include "fix_move.h"
+#include "fix_neigh_history.h"
+#include "fix_nph.h"
+#include "fix_nph_sphere.h"
+#include "fix_npt.h"
+#include "fix_npt_sphere.h"
+#include "fix_nve.h"
+#include "fix_nve_limit.h"
+#include "fix_nve_noforce.h"
+#include "fix_nve_sphere.h"
+#include "fix_nvt.h"
+#include "fix_nvt_sllod.h"
+#include "fix_nvt_sphere.h"
+#include "fix_planeforce.h"
+#include "fix_press_berendsen.h"
+#include "fix_print.h"
+#include "fix_property_atom.h"
+#include "fix_python_invoke.h"
+#include "fix_python_move.h"
+#include "fix_qeq_comb.h"
+#include "fix_rattle.h"
+#include "fix_read_restart.h"
+#include "fix_recenter.h"
+#include "fix_respa.h"
+#include "fix_restrain.h"
+#include "fix_rigid.h"
+#include "fix_rigid_nph.h"
+#include "fix_rigid_nph_small.h"
+#include "fix_rigid_npt.h"
+#include "fix_rigid_npt_small.h"
+#include "fix_rigid_nve.h"
+#include "fix_rigid_nve_small.h"
+#include "fix_rigid_nvt.h"
+#include "fix_rigid_nvt_small.h"
+#include "fix_rigid_small.h"
+#include "fix_setforce.h"
+#include "fix_shake.h"
+#include "fix_spring.h"
+#include "fix_spring_chunk.h"
+#include "fix_spring_self.h"
+#include "fix_store.h"
+#include "fix_store_force.h"
+#include "fix_store_local.h"
+#include "fix_store_state.h"
+#include "fix_temp_berendsen.h"
+#include "fix_temp_rescale.h"
+#include "fix_thermal_conductivity.h"
+#include "fix_tune_kspace.h"
+#include "fix_update_special_bonds.h"
+#include "fix_vector.h"
+#include "fix_viscous.h"
+#include "fix_wall_harmonic.h"
+#include "fix_wall_lj1043.h"
+#include "fix_wall_lj126.h"
+#include "fix_wall_lj93.h"
+#include "fix_wall_morse.h"
+#include "fix_wall_reflect.h"
+#include "fix_wall_region.h"
diff --git a/doc/styles/style_fix.h.tmp b/doc/styles/style_fix.h.tmp
new file mode 100644
index 0000000000..af85543bca
--- /dev/null
+++ b/doc/styles/style_fix.h.tmp
@@ -0,0 +1,90 @@
+#include "fix_adapt.h"
+#include "fix_addforce.h"
+#include "fix_ave_atom.h"
+#include "fix_ave_chunk.h"
+#include "fix_ave_correlate.h"
+#include "fix_ave_histo.h"
+#include "fix_ave_histo_weight.h"
+#include "fix_ave_time.h"
+#include "fix_aveforce.h"
+#include "fix_balance.h"
+#include "fix_bond_history.h"
+#include "fix_box_relax.h"
+#include "fix_cmap.h"
+#include "fix_deform.h"
+#include "fix_deposit.h"
+#include "fix_deprecated.h"
+#include "fix_dt_reset.h"
+#include "fix_dummy.h"
+#include "fix_efield.h"
+#include "fix_ehex.h"
+#include "fix_enforce2d.h"
+#include "fix_evaporate.h"
+#include "fix_external.h"
+#include "fix_gravity.h"
+#include "fix_group.h"
+#include "fix_halt.h"
+#include "fix_heat.h"
+#include "fix_indent.h"
+#include "fix_langevin.h"
+#include "fix_lineforce.h"
+#include "fix_minimize.h"
+#include "fix_momentum.h"
+#include "fix_move.h"
+#include "fix_neigh_history.h"
+#include "fix_nph.h"
+#include "fix_nph_sphere.h"
+#include "fix_npt.h"
+#include "fix_npt_sphere.h"
+#include "fix_nve.h"
+#include "fix_nve_limit.h"
+#include "fix_nve_noforce.h"
+#include "fix_nve_sphere.h"
+#include "fix_nvt.h"
+#include "fix_nvt_sllod.h"
+#include "fix_nvt_sphere.h"
+#include "fix_planeforce.h"
+#include "fix_press_berendsen.h"
+#include "fix_print.h"
+#include "fix_property_atom.h"
+#include "fix_python_invoke.h"
+#include "fix_python_move.h"
+#include "fix_qeq_comb.h"
+#include "fix_rattle.h"
+#include "fix_read_restart.h"
+#include "fix_recenter.h"
+#include "fix_respa.h"
+#include "fix_restrain.h"
+#include "fix_rigid.h"
+#include "fix_rigid_nph.h"
+#include "fix_rigid_nph_small.h"
+#include "fix_rigid_npt.h"
+#include "fix_rigid_npt_small.h"
+#include "fix_rigid_nve.h"
+#include "fix_rigid_nve_small.h"
+#include "fix_rigid_nvt.h"
+#include "fix_rigid_nvt_small.h"
+#include "fix_rigid_small.h"
+#include "fix_setforce.h"
+#include "fix_shake.h"
+#include "fix_spring.h"
+#include "fix_spring_chunk.h"
+#include "fix_spring_self.h"
+#include "fix_store.h"
+#include "fix_store_force.h"
+#include "fix_store_local.h"
+#include "fix_store_state.h"
+#include "fix_temp_berendsen.h"
+#include "fix_temp_rescale.h"
+#include "fix_thermal_conductivity.h"
+#include "fix_tune_kspace.h"
+#include "fix_update_special_bonds.h"
+#include "fix_vector.h"
+#include "fix_viscous.h"
+#include "fix_wall_harmonic.h"
+#include "fix_wall_lj1043.h"
+#include "fix_wall_lj126.h"
+#include "fix_wall_lj93.h"
+#include "fix_wall_morse.h"
+#include "fix_wall_reflect.h"
+#include "fix_wall_region.h"
diff --git a/doc/styles/style_improper.h b/doc/styles/style_improper.h
new file mode 100644
index 0000000000..74969abcc1
--- /dev/null
+++ b/doc/styles/style_improper.h
@@ -0,0 +1,6 @@
+#include "improper_cvff.h"
+#include "improper_deprecated.h"
+#include "improper_harmonic.h"
+#include "improper_hybrid.h"
+#include "improper_umbrella.h"
+#include "improper_zero.h"
diff --git a/doc/styles/style_improper.h.tmp b/doc/styles/style_improper.h.tmp
new file mode 100644
index 0000000000..74969abcc1
--- /dev/null
+++ b/doc/styles/style_improper.h.tmp
@@ -0,0 +1,6 @@
+#include "improper_cvff.h"
+#include "improper_deprecated.h"
+#include "improper_harmonic.h"
+#include "improper_hybrid.h"
+#include "improper_umbrella.h"
+#include "improper_zero.h"
diff --git a/doc/styles/style_integrate.h b/doc/styles/style_integrate.h
new file mode 100644
index 0000000000..eb4536f2cb
--- /dev/null
+++ b/doc/styles/style_integrate.h
@@ -0,0 +1,2 @@
+#include "respa.h"
+#include "verlet.h"
diff --git a/doc/styles/style_integrate.h.tmp b/doc/styles/style_integrate.h.tmp
new file mode 100644
index 0000000000..eb4536f2cb
--- /dev/null
+++ b/doc/styles/style_integrate.h.tmp
@@ -0,0 +1,2 @@
+#include "respa.h"
+#include "verlet.h"
diff --git a/doc/styles/style_kspace.h b/doc/styles/style_kspace.h
new file mode 100644
index 0000000000..5f57518390
--- /dev/null
+++ b/doc/styles/style_kspace.h
@@ -0,0 +1,15 @@
+#include "ewald.h"
+#include "ewald_dipole.h"
+#include "ewald_dipole_spin.h"
+#include "ewald_disp.h"
+#include "kspace_deprecated.h"
+#include "msm.h"
+#include "msm_cg.h"
+#include "pppm.h"
+#include "pppm_cg.h"
+#include "pppm_dipole.h"
+#include "pppm_dipole_spin.h"
+#include "pppm_disp.h"
+#include "pppm_disp_tip4p.h"
+#include "pppm_stagger.h"
+#include "pppm_tip4p.h"
diff --git a/doc/styles/style_kspace.h.tmp b/doc/styles/style_kspace.h.tmp
new file mode 100644
index 0000000000..5f57518390
--- /dev/null
+++ b/doc/styles/style_kspace.h.tmp
@@ -0,0 +1,15 @@
+#include "ewald.h"
+#include "ewald_dipole.h"
+#include "ewald_dipole_spin.h"
+#include "ewald_disp.h"
+#include "kspace_deprecated.h"
+#include "msm.h"
+#include "msm_cg.h"
+#include "pppm.h"
+#include "pppm_cg.h"
+#include "pppm_dipole.h"
+#include "pppm_dipole_spin.h"
+#include "pppm_disp.h"
+#include "pppm_disp_tip4p.h"
+#include "pppm_stagger.h"
+#include "pppm_tip4p.h"
diff --git a/doc/styles/style_minimize.h b/doc/styles/style_minimize.h
new file mode 100644
index 0000000000..28e80457bf
--- /dev/null
+++ b/doc/styles/style_minimize.h
@@ -0,0 +1,6 @@
+#include "min_cg.h"
+#include "min_fire.h"
+#include "min_fire_old.h"
+#include "min_hftn.h"
+#include "min_quickmin.h"
+#include "min_sd.h"
diff --git a/doc/styles/style_minimize.h.tmp b/doc/styles/style_minimize.h.tmp
new file mode 100644
index 0000000000..28e80457bf
--- /dev/null
+++ b/doc/styles/style_minimize.h.tmp
@@ -0,0 +1,6 @@
+#include "min_cg.h"
+#include "min_fire.h"
+#include "min_fire_old.h"
+#include "min_hftn.h"
+#include "min_quickmin.h"
+#include "min_sd.h"
diff --git a/doc/styles/style_nbin.h b/doc/styles/style_nbin.h
new file mode 100644
index 0000000000..73b496102b
--- /dev/null
+++ b/doc/styles/style_nbin.h
@@ -0,0 +1,2 @@
+#include "nbin_multi.h"
+#include "nbin_standard.h"
diff --git a/doc/styles/style_nbin.h.tmp b/doc/styles/style_nbin.h.tmp
new file mode 100644
index 0000000000..73b496102b
--- /dev/null
+++ b/doc/styles/style_nbin.h.tmp
@@ -0,0 +1,2 @@
+#include "nbin_multi.h"
+#include "nbin_standard.h"
diff --git a/doc/styles/style_npair.h b/doc/styles/style_npair.h
new file mode 100644
index 0000000000..19a22cc0b1
--- /dev/null
+++ b/doc/styles/style_npair.h
@@ -0,0 +1,45 @@
+#include "npair_copy.h"
+#include "npair_full_bin.h"
+#include "npair_full_bin_atomonly.h"
+#include "npair_full_bin_ghost.h"
+#include "npair_full_multi.h"
+#include "npair_full_multi_old.h"
+#include "npair_full_nsq.h"
+#include "npair_full_nsq_ghost.h"
+#include "npair_half_bin_atomonly_newton.h"
+#include "npair_half_bin_newtoff.h"
+#include "npair_half_bin_newtoff_ghost.h"
+#include "npair_half_bin_newton.h"
+#include "npair_half_bin_newton_tri.h"
+#include "npair_half_multi_newtoff.h"
+#include "npair_half_multi_newton.h"
+#include "npair_half_multi_newton_tri.h"
+#include "npair_half_multi_old_newtoff.h"
+#include "npair_half_multi_old_newton.h"
+#include "npair_half_multi_old_newton_tri.h"
+#include "npair_half_nsq_newtoff.h"
+#include "npair_half_nsq_newtoff_ghost.h"
+#include "npair_half_nsq_newton.h"
+#include "npair_half_respa_bin_newtoff.h"
+#include "npair_half_respa_bin_newton.h"
+#include "npair_half_respa_bin_newton_tri.h"
+#include "npair_half_respa_nsq_newtoff.h"
+#include "npair_half_respa_nsq_newton.h"
+#include "npair_half_size_bin_newtoff.h"
+#include "npair_half_size_bin_newton.h"
+#include "npair_half_size_bin_newton_tri.h"
+#include "npair_half_size_multi_newtoff.h"
+#include "npair_half_size_multi_newton.h"
+#include "npair_half_size_multi_newton_tri.h"
+#include "npair_half_size_multi_old_newtoff.h"
+#include "npair_half_size_multi_old_newton.h"
+#include "npair_half_size_multi_old_newton_tri.h"
+#include "npair_half_size_nsq_newtoff.h"
+#include "npair_half_size_nsq_newton.h"
+#include "npair_halffull_newtoff.h"
+#include "npair_halffull_newton.h"
+#include "npair_skip.h"
+#include "npair_skip_respa.h"
+#include "npair_skip_size.h"
+#include "npair_skip_size_off2on.h"
+#include "npair_skip_size_off2on_oneside.h"
diff --git a/doc/styles/style_npair.h.tmp b/doc/styles/style_npair.h.tmp
new file mode 100644
index 0000000000..19a22cc0b1
--- /dev/null
+++ b/doc/styles/style_npair.h.tmp
@@ -0,0 +1,45 @@
+#include "npair_copy.h"
+#include "npair_full_bin.h"
+#include "npair_full_bin_atomonly.h"
+#include "npair_full_bin_ghost.h"
+#include "npair_full_multi.h"
+#include "npair_full_multi_old.h"
+#include "npair_full_nsq.h"
+#include "npair_full_nsq_ghost.h"
+#include "npair_half_bin_atomonly_newton.h"
+#include "npair_half_bin_newtoff.h"
+#include "npair_half_bin_newtoff_ghost.h"
+#include "npair_half_bin_newton.h"
+#include "npair_half_bin_newton_tri.h"
+#include "npair_half_multi_newtoff.h"
+#include "npair_half_multi_newton.h"
+#include "npair_half_multi_newton_tri.h"
+#include "npair_half_multi_old_newtoff.h"
+#include "npair_half_multi_old_newton.h"
+#include "npair_half_multi_old_newton_tri.h"
+#include "npair_half_nsq_newtoff.h"
+#include "npair_half_nsq_newtoff_ghost.h"
+#include "npair_half_nsq_newton.h"
+#include "npair_half_respa_bin_newtoff.h"
+#include "npair_half_respa_bin_newton.h"
+#include "npair_half_respa_bin_newton_tri.h"
+#include "npair_half_respa_nsq_newtoff.h"
+#include "npair_half_respa_nsq_newton.h"
+#include "npair_half_size_bin_newtoff.h"
+#include "npair_half_size_bin_newton.h"
+#include "npair_half_size_bin_newton_tri.h"
+#include "npair_half_size_multi_newtoff.h"
+#include "npair_half_size_multi_newton.h"
+#include "npair_half_size_multi_newton_tri.h"
+#include "npair_half_size_multi_old_newtoff.h"
+#include "npair_half_size_multi_old_newton.h"
+#include "npair_half_size_multi_old_newton_tri.h"
+#include "npair_half_size_nsq_newtoff.h"
+#include "npair_half_size_nsq_newton.h"
+#include "npair_halffull_newtoff.h"
+#include "npair_halffull_newton.h"
+#include "npair_skip.h"
+#include "npair_skip_respa.h"
+#include "npair_skip_size.h"
+#include "npair_skip_size_off2on.h"
+#include "npair_skip_size_off2on_oneside.h"
diff --git a/doc/styles/style_nstencil.h b/doc/styles/style_nstencil.h
new file mode 100644
index 0000000000..b8503e0c23
--- /dev/null
+++ b/doc/styles/style_nstencil.h
@@ -0,0 +1,20 @@
+#include "nstencil_full_bin_2d.h"
+#include "nstencil_full_bin_3d.h"
+#include "nstencil_full_ghost_bin_2d.h"
+#include "nstencil_full_ghost_bin_3d.h"
+#include "nstencil_full_multi_2d.h"
+#include "nstencil_full_multi_3d.h"
+#include "nstencil_full_multi_old_2d.h"
+#include "nstencil_full_multi_old_3d.h"
+#include "nstencil_half_bin_2d.h"
+#include "nstencil_half_bin_2d_tri.h"
+#include "nstencil_half_bin_3d.h"
+#include "nstencil_half_bin_3d_tri.h"
+#include "nstencil_half_multi_2d.h"
+#include "nstencil_half_multi_2d_tri.h"
+#include "nstencil_half_multi_3d.h"
+#include "nstencil_half_multi_3d_tri.h"
+#include "nstencil_half_multi_old_2d.h"
+#include "nstencil_half_multi_old_2d_tri.h"
+#include "nstencil_half_multi_old_3d.h"
+#include "nstencil_half_multi_old_3d_tri.h"
diff --git a/doc/styles/style_nstencil.h.tmp b/doc/styles/style_nstencil.h.tmp
new file mode 100644
index 0000000000..b8503e0c23
--- /dev/null
+++ b/doc/styles/style_nstencil.h.tmp
@@ -0,0 +1,20 @@
+#include "nstencil_full_bin_2d.h"
+#include "nstencil_full_bin_3d.h"
+#include "nstencil_full_ghost_bin_2d.h"
+#include "nstencil_full_ghost_bin_3d.h"
+#include "nstencil_full_multi_2d.h"
+#include "nstencil_full_multi_3d.h"
+#include "nstencil_full_multi_old_2d.h"
+#include "nstencil_full_multi_old_3d.h"
+#include "nstencil_half_bin_2d.h"
+#include "nstencil_half_bin_2d_tri.h"
+#include "nstencil_half_bin_3d.h"
+#include "nstencil_half_bin_3d_tri.h"
+#include "nstencil_half_multi_2d.h"
+#include "nstencil_half_multi_2d_tri.h"
+#include "nstencil_half_multi_3d.h"
+#include "nstencil_half_multi_3d_tri.h"
+#include "nstencil_half_multi_old_2d.h"
+#include "nstencil_half_multi_old_2d_tri.h"
+#include "nstencil_half_multi_old_3d.h"
+#include "nstencil_half_multi_old_3d_tri.h"
diff --git a/doc/styles/style_ntopo.h b/doc/styles/style_ntopo.h
new file mode 100644
index 0000000000..d97f8f4773
--- /dev/null
+++ b/doc/styles/style_ntopo.h
@@ -0,0 +1,12 @@
+#include "ntopo_angle_all.h"
+#include "ntopo_angle_partial.h"
+#include "ntopo_angle_template.h"
+#include "ntopo_bond_all.h"
+#include "ntopo_bond_partial.h"
+#include "ntopo_bond_template.h"
+#include "ntopo_dihedral_all.h"
+#include "ntopo_dihedral_partial.h"
+#include "ntopo_dihedral_template.h"
+#include "ntopo_improper_all.h"
+#include "ntopo_improper_partial.h"
+#include "ntopo_improper_template.h"
diff --git a/doc/styles/style_ntopo.h.tmp b/doc/styles/style_ntopo.h.tmp
new file mode 100644
index 0000000000..d97f8f4773
--- /dev/null
+++ b/doc/styles/style_ntopo.h.tmp
@@ -0,0 +1,12 @@
+#include "ntopo_angle_all.h"
+#include "ntopo_angle_partial.h"
+#include "ntopo_angle_template.h"
+#include "ntopo_bond_all.h"
+#include "ntopo_bond_partial.h"
+#include "ntopo_bond_template.h"
+#include "ntopo_dihedral_all.h"
+#include "ntopo_dihedral_partial.h"
+#include "ntopo_dihedral_template.h"
+#include "ntopo_improper_all.h"
+#include "ntopo_improper_partial.h"
+#include "ntopo_improper_template.h"
diff --git a/doc/styles/style_pair.h b/doc/styles/style_pair.h
new file mode 100644
index 0000000000..684f688e03
--- /dev/null
+++ b/doc/styles/style_pair.h
@@ -0,0 +1,82 @@
+#include "pair_adp.h"
+#include "pair_airebo.h"
+#include "pair_airebo_morse.h"
+#include "pair_atm.h"
+#include "pair_bop.h"
+#include "pair_born.h"
+#include "pair_born_coul_long.h"
+#include "pair_born_coul_msm.h"
+#include "pair_buck.h"
+#include "pair_buck_coul_cut.h"
+#include "pair_buck_coul_long.h"
+#include "pair_buck_coul_msm.h"
+#include "pair_buck_long_coul_long.h"
+#include "pair_comb.h"
+#include "pair_comb3.h"
+#include "pair_coul_cut.h"
+#include "pair_coul_debye.h"
+#include "pair_coul_dsf.h"
+#include "pair_coul_long.h"
+#include "pair_coul_msm.h"
+#include "pair_coul_streitz.h"
+#include "pair_coul_wolf.h"
+#include "pair_deprecated.h"
+#include "pair_eam.h"
+#include "pair_eam_alloy.h"
+#include "pair_eam_cd.h"
+#include "pair_eam_fs.h"
+#include "pair_eam_he.h"
+#include "pair_edip.h"
+#include "pair_edip_multi.h"
+#include "pair_eim.h"
+#include "pair_extep.h"
+#include "pair_gw.h"
+#include "pair_gw_zbl.h"
+#include "pair_hbond_dreiding_lj.h"
+#include "pair_hbond_dreiding_morse.h"
+#include "pair_hybrid.h"
+#include "pair_hybrid_overlay.h"
+#include "pair_hybrid_scaled.h"
+#include "pair_lcbop.h"
+#include "pair_lj_charmm_coul_charmm.h"
+#include "pair_lj_charmm_coul_charmm_implicit.h"
+#include "pair_lj_charmm_coul_long.h"
+#include "pair_lj_charmm_coul_msm.h"
+#include "pair_lj_charmmfsw_coul_charmmfsh.h"
+#include "pair_lj_charmmfsw_coul_long.h"
+#include "pair_lj_cut.h"
+#include "pair_lj_cut_coul_cut.h"
+#include "pair_lj_cut_coul_long.h"
+#include "pair_lj_cut_coul_msm.h"
+#include "pair_lj_cut_tip4p_cut.h"
+#include "pair_lj_cut_tip4p_long.h"
+#include "pair_lj_expand.h"
+#include "pair_lj_long_coul_long.h"
+#include "pair_lj_long_tip4p_long.h"
+#include "pair_local_density.h"
+#include "pair_meam_spline.h"
+#include "pair_meam_sw_spline.h"
+#include "pair_morse.h"
+#include "pair_nb3b_harmonic.h"
+#include "pair_polymorphic.h"
+#include "pair_python.h"
+#include "pair_rebo.h"
+#include "pair_snap.h"
+#include "pair_soft.h"
+#include "pair_sw.h"
+#include "pair_sw_angle_table.h"
+#include "pair_sw_mod.h"
+#include "pair_table.h"
+#include "pair_tersoff.h"
+#include "pair_tersoff_mod.h"
+#include "pair_tersoff_mod_c.h"
+#include "pair_tersoff_table.h"
+#include "pair_tersoff_zbl.h"
+#include "pair_threebody_table.h"
+#include "pair_tip4p_cut.h"
+#include "pair_tip4p_long.h"
+#include "pair_vashishta.h"
+#include "pair_vashishta_table.h"
+#include "pair_yukawa.h"
+#include "pair_zbl.h"
+#include "pair_zero.h"
diff --git a/doc/styles/style_pair.h.tmp b/doc/styles/style_pair.h.tmp
new file mode 100644
index 0000000000..684f688e03
--- /dev/null
+++ b/doc/styles/style_pair.h.tmp
@@ -0,0 +1,82 @@
+#include "pair_adp.h"
+#include "pair_airebo.h"
+#include "pair_airebo_morse.h"
+#include "pair_atm.h"
+#include "pair_bop.h"
+#include "pair_born.h"
+#include "pair_born_coul_long.h"
+#include "pair_born_coul_msm.h"
+#include "pair_buck.h"
+#include "pair_buck_coul_cut.h"
+#include "pair_buck_coul_long.h"
+#include "pair_buck_coul_msm.h"
+#include "pair_buck_long_coul_long.h"
+#include "pair_comb.h"
+#include "pair_comb3.h"
+#include "pair_coul_cut.h"
+#include "pair_coul_debye.h"
+#include "pair_coul_dsf.h"
+#include "pair_coul_long.h"
+#include "pair_coul_msm.h"
+#include "pair_coul_streitz.h"
+#include "pair_coul_wolf.h"
+#include "pair_deprecated.h"
+#include "pair_eam.h"
+#include "pair_eam_alloy.h"
+#include "pair_eam_cd.h"
+#include "pair_eam_fs.h"
+#include "pair_eam_he.h"
+#include "pair_edip.h"
+#include "pair_edip_multi.h"
+#include "pair_eim.h"
+#include "pair_extep.h"
+#include "pair_gw.h"
+#include "pair_gw_zbl.h"
+#include "pair_hbond_dreiding_lj.h"
+#include "pair_hbond_dreiding_morse.h"
+#include "pair_hybrid.h"
+#include "pair_hybrid_overlay.h"
+#include "pair_hybrid_scaled.h"
+#include "pair_lcbop.h"
+#include "pair_lj_charmm_coul_charmm.h"
+#include "pair_lj_charmm_coul_charmm_implicit.h"
+#include "pair_lj_charmm_coul_long.h"
+#include "pair_lj_charmm_coul_msm.h"
+#include "pair_lj_charmmfsw_coul_charmmfsh.h"
+#include "pair_lj_charmmfsw_coul_long.h"
+#include "pair_lj_cut.h"
+#include "pair_lj_cut_coul_cut.h"
+#include "pair_lj_cut_coul_long.h"
+#include "pair_lj_cut_coul_msm.h"
+#include "pair_lj_cut_tip4p_cut.h"
+#include "pair_lj_cut_tip4p_long.h"
+#include "pair_lj_expand.h"
+#include "pair_lj_long_coul_long.h"
+#include "pair_lj_long_tip4p_long.h"
+#include "pair_local_density.h"
+#include "pair_meam_spline.h"
+#include "pair_meam_sw_spline.h"
+#include "pair_morse.h"
+#include "pair_nb3b_harmonic.h"
+#include "pair_polymorphic.h"
+#include "pair_python.h"
+#include "pair_rebo.h"
+#include "pair_snap.h"
+#include "pair_soft.h"
+#include "pair_sw.h"
+#include "pair_sw_angle_table.h"
+#include "pair_sw_mod.h"
+#include "pair_table.h"
+#include "pair_tersoff.h"
+#include "pair_tersoff_mod.h"
+#include "pair_tersoff_mod_c.h"
+#include "pair_tersoff_table.h"
+#include "pair_tersoff_zbl.h"
+#include "pair_threebody_table.h"
+#include "pair_tip4p_cut.h"
+#include "pair_tip4p_long.h"
+#include "pair_vashishta.h"
+#include "pair_vashishta_table.h"
+#include "pair_yukawa.h"
+#include "pair_zbl.h"
+#include "pair_zero.h"
diff --git a/doc/styles/style_reader.h b/doc/styles/style_reader.h
new file mode 100644
index 0000000000..b66e91fe58
--- /dev/null
+++ b/doc/styles/style_reader.h
@@ -0,0 +1,2 @@
+#include "reader_native.h"
+#include "reader_xyz.h"
diff --git a/doc/styles/style_reader.h.tmp b/doc/styles/style_reader.h.tmp
new file mode 100644
index 0000000000..b66e91fe58
--- /dev/null
+++ b/doc/styles/style_reader.h.tmp
@@ -0,0 +1,2 @@
+#include "reader_native.h"
+#include "reader_xyz.h"
diff --git a/doc/styles/style_region.h b/doc/styles/style_region.h
new file mode 100644
index 0000000000..9f077a0ecf
--- /dev/null
+++ b/doc/styles/style_region.h
@@ -0,0 +1,10 @@
+#include "region_block.h"
+#include "region_cone.h"
+#include "region_cylinder.h"
+#include "region_deprecated.h"
+#include "region_ellipsoid.h"
+#include "region_intersect.h"
+#include "region_plane.h"
+#include "region_prism.h"
+#include "region_sphere.h"
+#include "region_union.h"
diff --git a/doc/styles/style_region.h.tmp b/doc/styles/style_region.h.tmp
new file mode 100644
index 0000000000..9f077a0ecf
--- /dev/null
+++ b/doc/styles/style_region.h.tmp
@@ -0,0 +1,10 @@
+#include "region_block.h"
+#include "region_cone.h"
+#include "region_cylinder.h"
+#include "region_deprecated.h"
+#include "region_ellipsoid.h"
+#include "region_intersect.h"
+#include "region_plane.h"
+#include "region_prism.h"
+#include "region_sphere.h"
+#include "region_union.h"
diff --git a/examples/pod/coefficients.txt b/examples/pod/coefficients.txt
index 260eaf0f8b..a52b9c3795 100644
--- a/examples/pod/coefficients.txt
+++ b/examples/pod/coefficients.txt
@@ -1,1143 +1,1143 @@
 POD_coefficients: 1142
--9.3492265789374648932
-3.8991774369058984639
--0.53886792325596932773
--0.98799119354515207991
--0.76769643268774956368
-0.22279049503777861863
--0.26425059101795567162
--0.17552668329806386804
-49.567597668751773199
--6.8513652921654131234
--76.51502521494381881
-17.882292137246018626
-0.31835931711059561877
--10.33078539662603923
--2.3617662606292579852
-14.843108864557038373
--0.4153160849407549482
-0.026657022528428601926
--1.3193036809728635461
-0.0025387955857166196773
--1.2564206606374577202
-0.10498921350999590452
-0.36406848365266514245
-0.36482550409507713551
-1.0621976714924008522
-0.16472274264600547666
--0.024075192844204795078
--0.021759477153903743207
--0.25697246552470320857
--0.05271229516883434163
--0.54720325135005676298
-0.060709489022950549608
--0.039673882957978752473
-0.30795860521881662786
-0.003964531650170484596
-0.059838095330140277095
-0.16420481409565168551
-0.27514605416089238377
-0.12046827526985756651
--0.045926047222222363131
-0.46991939899165863226
-0.47999124236658508025
-0.12358161229815345372
--0.019373788027182384242
-0.0076208984529512659861
--0.087348525509849547777
--0.25699735248996324888
-0.061939795531530485173
-0.012702449619175815859
--0.26344638814428528173
-0.037395185051268535481
--0.0060139986010137791092
--0.016310310894588196662
-0.36276330642609810884
--0.14236053876962737053
--0.076999022080402962365
-0.050852038870018573258
-0.054616105283179380847
--0.0053087853337475780779
--0.044559421839669446919
--0.0028407752504704874771
--0.024937627610953808782
-0.032415850650745037242
--0.0079139815900776643021
--0.0027950339255978732395
--0.00057867120079691598995
-0.017540097514838853127
-0.020938066203575488033
--2.194231774152349157
-0.77617607673081967512
-0.10453041129779458429
-0.71638484739180996463
--1.7990098136637409088
--0.31895851766271721139
-0.10287759055496409344
--0.036889011300136324845
-0.018875030455881160185
-0.033763576009185274074
-0.044537212934422608368
--0.019501941415713732603
-0.63701923664898763011
--0.72568968733326544296
-0.75266805948450687946
-0.078687950835020906148
--1.2102411552001088868
--0.50214739633137084329
--0.33287964913076573126
-0.064044562605487451168
-0.07907973848940619277
--0.097868371711597082485
-0.36632467267445134596
-0.55079069439315142542
-0.0035829504801217167999
--0.00083610882770490451907
--0.00012799358479352189498
--0.00073313522915277856001
--0.0013463554122595965037
-0.0009418173396294982026
--0.21873158724930932828
-0.079939434656606814245
-0.012629514771301213541
-0.12931515113153757568
-0.02805584194450135363
-0.062912219619598808151
-0.0135336867750827268
--0.0047706638512723040235
-0.0026339891671865837963
-0.012198082097220043496
-0.024312629765939106075
-0.0026938557827900864311
--0.06475711354219020055
--0.043739127707704855696
-0.042372364160544719047
--0.066491710549664601038
--0.016621021769135671531
-0.1351074212979630762
--0.071103161596214409235
-0.013353179136325101992
-0.012406246404913253215
--0.058641489094120043124
--0.068951048734220449221
-0.020207013988697196394
-0.0028918125172731129133
--0.0011258742095012303983
-0.00032439380078503287069
-1.5697841922181232123e-05
-0.00049059834359901010551
-0.002417220663915014417
--0.094964255339754416463
-0.041451201382189266365
--0.010916083324602282589
-0.0085029918460752008935
-0.053396348989496057735
--0.011600184022793277178
--0.004345499477226930779
-0.0023175410281513842206
--0.00093618646588494605718
--0.00090094149499836775376
-0.0056987200960717651274
--0.0022170023380556755019
-0.054232870172776781459
--0.020915263441896866231
-0.0018518154511805752505
--0.028254375990090074139
-0.049296687467083197265
--0.011169953058034953405
--0.0056437715768139235656
--0.0033345906746550394231
-0.0015972129611052420309
-0.0014811440123157701421
-0.0074111645129956230105
--0.0092145812494948773491
-0.0082195295258362180424
--0.0047925130974585021873
--0.00041644752296468351329
--0.0020596412447283392322
-0.0090196314599667506279
-0.002033942833048335997
--0.075631865036461382035
--0.0082158846994752517123
--0.0055387081916149476929
-0.064001841420187999265
--0.06754620558031153299
-0.032614319083293000223
--0.02866655550231348229
-0.015999777004040708489
--0.0053388132620348256741
--0.0026959922552977802317
-0.011813225074804733702
-0.005473128617257916502
-0.3476424017197996541
--0.080325398770180911345
-0.062384841077629579753
--0.050969900923707164853
-0.022315258005401541336
--0.0038074494351758303434
-0.063449661107390448178
-0.034780159851389914893
-0.0075380678582522937445
-0.038491643552823993912
--0.046389249962282198825
-0.022529602145749835079
--0.017328507657079651044
-0.006037037358895130934
--0.0030234222145710410584
-0.0064711437865982938261
-0.00060975429716303712786
--0.0013261107959882255554
--0.13850529021379007211
-0.034130396233424273311
--0.010620304598184207578
--0.036885128284318953462
-0.047806267974176926139
--0.01118830002032355185
-0.033136858098072687062
--0.010087035182660545815
-0.0027559631095122882893
-0.0006714894292275507947
-0.01162553104172323569
--0.0021041592654627251299
--0.038066179771795417841
-0.075715093007341888187
-0.0048611047509682422246
--0.033394216899529718945
-0.054080057630740280272
--0.025430200843611659722
-0.029488438907838358805
-0.016098935612386334332
--0.0094329047221206226148
--0.0050231812567559956315
-0.023577729609231386221
--0.011618437204048709041
-0.00013974469983610323504
--2.1577635585182625919e-05
-4.4696939495945443334e-05
-0.00027057970326807546067
-0.00012232040020563627095
--0.00028007011743215221196
-0.0097305477464987195912
-0.009519284635654209209
--0.0019969025317941560722
--0.010419765862067555465
-0.021674756225606668647
--0.0089706843208940106188
--0.39940172078489305507
--0.053328198830069825642
-0.16653280029437392273
--0.18151910621742409213
--0.0010553645502316510822
-0.018413497295905731366
--0.01453373814482968561
-0.010943267505032147624
-0.0034101984042114938389
-0.014254452775568672573
--0.017359982726282110338
-0.0058488189171220532001
-0.20586120778416117094
-0.057357391114449492175
--0.018345115109114053242
-0.042119381859531700163
--0.054146491553344444636
-0.022346822573663719519
-1.0422102751625912376
--0.038894065493866411543
--0.21134181369515989135
--0.018118408284378936107
-0.023979553513112344953
--0.0092813084266234434361
--0.1015797502600623986
--0.040538356103952823128
--0.0085459274019597797345
--0.0094555670808041582948
--0.0035659761274907425706
--0.000530629052200727808
--0.001993607384913855668
-0.00058979288362488138837
--6.6517804389132480249e-06
-0.00011825148557761219379
--0.00064849116875155586939
-0.00021503048402849730221
-0.063718170167125609549
--0.003373317413623894926
-0.0014839932293121409646
-0.010547282430198317779
--0.042904366729205146991
-0.011278898374672363322
--0.0047621026619762904519
--0.0058051860890137186449
--0.0021337300038267556675
--0.0024553584434173244926
-0.0040734304101495751732
-0.0048677317217689650489
--0.15392683514637306441
-0.0057629189039931647334
--0.0010255255121628221397
-0.034984717870909252946
--0.0078667453868019043828
--0.0024956691936365775313
--0.009277095705117499938
-0.0020259505884902733255
-0.00083588156414760841819
-0.0043655141558075838751
--0.0020618968063393721367
-0.004228323698154043235
--0.0049054840913656310927
-0.0018438929710507987684
--6.7277994516300244671e-05
-0.0021611231122906802635
-0.0029505704594724145584
--0.0018795368407314755506
-6.1149681159103737782e-05
-0.00010081578595524521137
--5.6457826838460388919e-05
-0.00067415113558206294156
--0.001961279193813073897
--0.00026808030904110571619
-0.032874924004204053585
--0.01963966002864978716
-0.005903143381883302343
--0.031059453082200472879
-0.0048660897334095636405
--0.0038968208109929000638
-0.04033019286154785471
-0.0099899821276943374243
--0.0041464496700850351704
-0.01530849002274100798
--0.016416827292516540659
-0.0032978850326347737554
--0.0054884410487502843443
--0.0065559567533546841273
--0.0052017865178831277848
-0.010038013782270448215
--0.0069808578652372247839
--0.00044620733438673667584
-0.018582733513733473013
--0.0030943912644793031969
--0.0034897638078809473626
-0.0032599568985164028255
--0.0012528729197519253725
--9.2001468448930242791e-05
-0.013968008945838644025
--0.0020167854780814118039
--0.0042056724427296677399
-0.0054140077195862015835
-0.0031985651684845275468
-0.0011917555688320013215
--0.00081918782012885206674
-0.0036487158403634141306
-0.0045997111455735369828
--0.0032304493770983900951
-0.00039998872329304632593
--0.00059424739363206585761
--0.00092890086763500710754
-0.00041631573011085529256
--0.00019872016733553301161
-0.00080632360451963569579
--0.00033462569830296109812
--0.00013046921344376464363
-0.075257618529650377459
--0.012688484241944901487
--0.038107131345738315398
-0.010954970641602725448
-0.033222178459381614124
--0.011361574394901003543
-0.0078012171447658278448
-0.032575597508529202662
-0.0025372356763261436248
-0.020972494022154824361
-0.0085173835091135480929
--0.0034236757072822849787
-0.026778831159313121191
--0.0094196520014843392737
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diff --git a/examples/pod/training_analysis.txt b/examples/pod/training_analysis.txt
index 649602e2c5..ea1b4f12ec 100644
--- a/examples/pod/training_analysis.txt
+++ b/examples/pod/training_analysis.txt
@@ -1,387 +1,387 @@
 # Displaced_A15.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     1      64      -754.209      -754.22      0.000180445      8.38015      8.39867      0.0247074      
-     2      64      -753.854      -753.865      0.000175413      9.1725      9.13443      0.0267717      
-     3      64      -754.047      -754.022      0.000391414      8.92431      9.01726      0.0258307      
-     4      64      -754.268      -754.28      0.000186254      8.3864      8.38173      0.0283086      
-     5      64      -753.79      -753.777      0.000205962      9.46775      9.47831      0.0286546      
-     6      64      -754.03      -754.049      0.000287547      8.52055      8.46532      0.0275761      
-     7      64      -754.325      -754.318      0.000111233      8.0873      8.12769      0.0254617      
-     8      64      -753.985      -753.969      0.000252256      9.41514      9.42546      0.02552      
-     9      64      -754.133      -754.142      0.000139339      8.8042      8.82135      0.0253      
+     1      64      -754.211      -754.22      0.000151283      8.41297      8.39867      0.0244525      
+     2      64      -753.852      -753.865      0.000214147      9.15875      9.13443      0.0270221      
+     3      64      -754.045      -754.022      0.000353326      8.99692      9.01726      0.0245746      
+     4      64      -754.273      -754.28      0.000109418      8.35332      8.38173      0.0298263      
+     5      64      -753.793      -753.777      0.000249816      9.47992      9.47831      0.0288577      
+     6      64      -754.037      -754.049      0.000184815      8.47839      8.46532      0.0273614      
+     7      64      -754.32      -754.318      3.2902e-05      8.07573      8.12769      0.0244955      
+     8      64      -753.978      -753.969      0.00013757      9.40995      9.42546      0.026367      
+     9      64      -754.135      -754.142      0.000112451      8.78473      8.82135      0.0265073      
 # Displaced_BCC.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     10      54      -631.058      -631.02      0.000702448      16.4939      16.6259      0.0496485      
-     11      54      -631.708      -631.72      0.000213427      15.5801      15.5867      0.051722      
-     12      54      -631.388      -631.386      4.1557e-05      15.8976      15.9238      0.0478846      
-     13      54      -632.563      -632.576      0.000245133      14.5778      14.5598      0.047202      
-     14      54      -630.45      -630.45      3.8958e-06      17.0068      16.9634      0.0517715      
-     15      54      -631.664      -631.669      9.21388e-05      16.0525      16.0576      0.0554714      
-     16      54      -632.442      -632.431      0.000195155      14.6674      14.6981      0.0504075      
-     17      54      -630.954      -630.96      0.000103494      15.949      15.9907      0.0544735      
-     18      54      -623.363      -623.378      0.000285615      24.6106      24.6764      0.0711599      
+     10      54      -631.067      -631.02      0.000882419      16.4664      16.6259      0.0540607      
+     11      54      -631.7      -631.72      0.000371993      15.5636      15.5867      0.0506197      
+     12      54      -631.392      -631.386      0.000111454      15.9019      15.9238      0.0510032      
+     13      54      -632.566      -632.576      0.000174535      14.6089      14.5598      0.0468936      
+     14      54      -630.449      -630.45      1.63156e-05      16.9691      16.9634      0.0537862      
+     15      54      -631.663      -631.669      0.00011744      16.0619      16.0576      0.05686      
+     16      54      -632.453      -632.431      0.000393909      14.6447      14.6981      0.0516503      
+     17      54      -630.939      -630.96      0.00039626      15.9657      15.9907      0.0531651      
+     18      54      -623.361      -623.378      0.00032156      24.6058      24.6764      0.0770347      
 # Displaced_FCC.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     19      48      -555.911      -555.899      0.000245718      6.07249      6.08462      0.0174058      
-     20      48      -555.911      -555.922      0.000233017      6.27409      6.29707      0.018194      
-     21      48      -555.801      -555.8      1.49476e-05      6.00727      6.0211      0.0183433      
-     22      48      -556.208      -556.196      0.000251784      5.09429      5.12796      0.0155119      
-     23      48      -555.489      -555.489      4.97614e-06      7.02978      7.05022      0.0205784      
-     24      48      -556.028      -556.028      3.35049e-06      5.60917      5.61188      0.016851      
-     25      48      -555.976      -555.968      0.000165329      5.9806      5.97922      0.0150427      
-     26      48      -556.034      -556.047      0.000275449      5.59417      5.54445      0.0174274      
-     27      48      -555.74      -555.748      0.000170843      6.46363      6.47893      0.0190855      
+     19      48      -555.911      -555.899      0.000232121      6.07728      6.08462      0.0178127      
+     20      48      -555.914      -555.922      0.000170712      6.27724      6.29707      0.0182076      
+     21      48      -555.802      -555.8      2.89502e-05      6.00889      6.0211      0.0187746      
+     22      48      -556.207      -556.196      0.000234668      5.1143      5.12796      0.0162605      
+     23      48      -555.488      -555.489      2.8484e-05      7.04693      7.05022      0.0192703      
+     24      48      -556.026      -556.028      4.51412e-05      5.57549      5.61188      0.0184453      
+     25      48      -555.972      -555.968      8.40033e-05      5.97956      5.97922      0.0161947      
+     26      48      -556.039      -556.047      0.000177489      5.5946      5.54445      0.0179839      
+     27      48      -555.74      -555.748      0.000160521      6.46016      6.47893      0.0187257      
 # Elastic_BCC.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     28      2      -23.6899      -23.6894      0.000243313      0.0022626      0.000622275      0.000387522      
-     29      2      -23.6901      -23.6899      8.76995e-05      0.00225304      0.000616605      0.000386409      
-     30      2      -23.6904      -23.69      0.000179924      0.00321106      0.000881043      0.000776661      
-     31      2      -23.6912      -23.691      0.000112997      3.70719e-06      0      1.47862e-06      
-     32      2      -23.6903      -23.6905      0.000119841      0.00220903      0.000598227      0.000380766      
-     33      2      -23.6903      -23.6904      5.8766e-05      0.00219823      0.000592572      0.00037942      
-     34      2      -23.6898      -23.6892      0.000317461      0.00227561      0.000627936      0.000389266      
-     35      2      -23.6908      -23.6905      0.000183184      0.00317447      0.000864014      0.000770615      
-     36      2      -23.6903      -23.6899      0.000174857      0.00223681      0.000615215      0.000382741      
-     37      2      -23.6905      -23.6906      5.0474e-05      0.00221987      0.000603873      0.000381562      
-     38      2      -23.6909      -23.6902      0.000325787      0.00391838      0.0010737      0.00116134      
-     39      2      -23.6902      -23.6893      0.000453047      0.00323155      0.000890013      0.000780864      
-     40      2      -23.6902      -23.6898      0.000231083      0.00392438      0.00108025      0.00116108      
-     41      2      -23.6897      -23.6897      6.68264e-06      0.0031686      0.000868003      0.000767253      
-     42      2      -23.69      -23.6901      5.67414e-05      0.00505535      0.00137382      0.00116258      
-     43      2      -23.6888      -23.6881      0.000354129      0.00229315      0.000633613      0.000391902      
-     44      2      -23.6902      -23.6892      0.000488046      0.00321737      0.00088801      0.000776855      
-     45      2      -23.6899      -23.6895      0.000171946      0.00320872      0.000886001      0.000774807      
-     46      2      -23.6876      -23.6863      0.000642774      0.0022937      0.000640678      0.000390176      
-     47      2      -23.69      -23.6901      6.2759e-05      0.00314026      0.000841016      0.000766443      
-     48      2      -23.6908      -23.6908      1.51844e-05      0.00316104      0.000850007      0.000770864      
-     49      2      -23.6901      -23.6903      7.87864e-05      0.0038777      0.00104432      0.00115663      
-     50      2      -23.6907      -23.6906      6.05381e-05      0.00388902      0.00105083      0.00115868      
-     51      2      -23.6904      -23.6907      0.0001457      0.00222945      0.000603891      0.000384185      
-     52      2      -23.6907      -23.6906      4.99195e-05      0.00317935      0.000859006      0.000773796      
-     53      2      -23.6908      -23.6907      5.44764e-05      0.00317742      0.000859011      0.000772972      
-     54      2      -23.6901      -23.6902      7.00158e-05      0.00321303      0.000873005      0.000780053      
-     55      2      -23.6895      -23.6889      0.000299833      0.00320765      0.000880031      0.000776277      
-     56      2      -23.6897      -23.6901      0.000233849      0.00219594      0.000593997      0.000377778      
-     57      2      -23.6884      -23.6874      0.000481555      0.00323471      0.000903059      0.000777448      
-     58      2      -23.6903      -23.6898      0.000269815      0.00319203      0.000874001      0.000773001      
-     59      2      -23.6902      -23.6904      9.50569e-05      3.07143e-06      0      1.14673e-06      
-     60      2      -23.69      -23.6904      0.000158865      0.00222922      0.00060675      0.000382921      
-     61      2      -23.6886      -23.6889      0.000137351      0.00312015      0.000825005      0.000765689      
-     62      2      -23.6904      -23.6905      6.15331e-05      0.00545114      0.00147578      0.00153501      
-     63      2      -23.6903      -23.6906      0.000132613      0.00224911      0.00059966      0.000389527      
-     64      2      -23.6901      -23.6895      0.000327614      0.0022505      0.000619438      0.000385484      
-     65      2      -23.6902      -23.6899      0.000179904      0.00321626      0.000886012      0.000777295      
-     66      2      -23.6898      -23.6893      0.000253466      0.00504615      0.00139648      0.00115566      
-     67      2      -23.6903      -23.6905      8.40229e-05      0.0022176      0.000593983      0.000383239      
-     68      2      -23.6892      -23.6898      0.000293904      0.00314856      0.000834059      0.000772345      
-     69      2      -23.6895      -23.69      0.000250582      0.00220758      0.000589769      0.000382025      
-     70      2      -23.6904      -23.6906      6.11994e-05      0.00220855      0.000593978      0.000381768      
-     71      2      -23.6901      -23.6902      7.3581e-05      0.00392762      0.00108432      0.00116077      
-     72      2      -23.6904      -23.6906      0.00010496      0.00224708      0.000602468      0.000388108      
-     73      2      -23.69      -23.6898      0.000106407      0.00320919      0.000879069      0.000776988      
-     74      2      -23.69      -23.6903      0.000139467      2.57183e-06      0      7.647e-07      
-     75      2      -23.6909      -23.6906      0.000143661      0.00226116      0.000613775      0.000389209      
-     76      2      -23.6903      -23.6906      0.000157806      3.44309e-06      0      1.40542e-06      
-     77      2      -23.6906      -23.6906      6.60232e-06      0.00318315      0.000859033      0.000775232      
-     78      2      -23.6891      -23.6879      0.000575143      0.00323296      0.000901011      0.000777514      
-     79      2      -23.6908      -23.6907      6.44187e-05      0.00314574      0.000847006      0.000766988      
-     80      2      -23.69      -23.69      2.04594e-05      0.00226391      0.000619447      0.000388635      
-     81      2      -23.6898      -23.6896      7.65908e-05      0.0031811      0.000874073      0.000769685      
-     82      2      -23.6907      -23.6907      6.05923e-06      0.0022528      0.000612376      0.000387177      
-     83      2      -23.6901      -23.6902      2.54142e-05      0.00320667      0.000875005      0.000777619      
-     84      2      -23.6888      -23.6879      0.000458274      0.00396717      0.00111207      0.00116558      
-     85      2      -23.6903      -23.6901      5.99805e-05      0.00319818      0.000868018      0.000777201      
-     86      2      -23.691      -23.6908      8.19975e-05      0.00225421      0.000608113      0.000388613      
-     87      2      -23.6905      -23.6906      4.11032e-05      0.0045362      0.00121767      0.000783889      
-     88      2      -23.6904      -23.6907      0.000145264      0.00224716      0.000602477      0.000388232      
-     89      2      -23.6897      -23.6903      0.000261181      0.00387483      0.0010435      0.00115582      
-     90      2      -23.6903      -23.6907      0.000204716      0.00222792      0.000601074      0.00038465      
-     91      2      -23.6901      -23.6901      2.031e-05      0.00317643      0.000873023      0.000767951      
-     92      2      -23.6894      -23.6884      0.000484472      0.00228128      0.00063218      0.000389362      
-     93      2      -23.6895      -23.6887      0.000419983      0.00394568      0.00109247      0.00116478      
-     94      2      -23.6905      -23.6905      3.12092e-05      0.00318183      0.000861015      0.000773965      
-     95      2      -23.6898      -23.6897      5.75851e-05      0.00229229      0.000625129      0.000393774      
-     96      2      -23.6902      -23.6906      0.000189623      2.64294e-06      0      8.37552e-07      
-     97      2      -23.6895      -23.6888      0.00034917      0.0022554      0.000625114      0.000385228      
-     98      2      -23.6888      -23.6893      0.000269829      0.00312551      0.00082906      0.000765741      
-     99      2      -23.6879      -23.6874      0.0002742      0.00398073      0.00112024      0.00116778      
-     100      2      -23.6907      -23.6907      2.81271e-05      0.00224313      0.00061094      0.000385273      
-     101      2      -23.6885      -23.6894      0.000466977      0.00222435      0.000588355      0.000386517      
-     102      2      -23.6906      -23.69      0.00028376      0.00321077      0.000881006      0.000776968      
-     103      2      -23.6895      -23.69      0.000266351      0.00315543      0.00084502      0.000770165      
-     104      2      -23.6905      -23.6908      0.000123662      0.00223968      0.000599642      0.000387094      
-     105      2      -23.6904      -23.6898      0.000308514      0.00321254      0.000880022      0.000777611      
-     106      2      -23.6901      -23.6906      0.000224284      0.00317787      0.000856001      0.000774181      
-     107      2      -23.6905      -23.6906      6.95804e-05      0.00313365      0.000839002      0.00076532      
-     108      2      -23.6896      -23.6888      0.000406101      0.00320965      0.000891019      0.00077328      
-     109      2      -23.6907      -23.69      0.000358763      0.00225878      0.000619429      0.00038705      
-     110      2      -23.6888      -23.6877      0.000530236      0.00394556      0.00108759      0.00116673      
-     111      2      -23.6911      -23.691      6.27316e-05      0.00316427      0.000854004      0.000770782      
-     112      2      -23.6898      -23.689      0.00037975      2.34336e-06      0      9.22679e-07      
-     113      2      -23.6901      -23.69      8.59002e-05      2.59614e-06      0      1.01354e-06      
-     114      2      -23.6902      -23.6906      0.000198195      0.00317936      0.000858001      0.000774029      
-     115      2      -23.6902      -23.6906      0.00019314      0.0031808      0.000868007      0.000770991      
-     116      2      -23.6898      -23.6902      0.000215185      0.00219767      0.000592589      0.00037891      
-     117      2      -23.69      -23.6905      0.000220441      0.00314591      0.000850029      0.000765659      
-     118      2      -23.6909      -23.6905      0.000222385      0.00319041      0.00087401      0.000772237      
-     119      2      -23.6894      -23.6896      0.000103896      0.00314513      0.000832019      0.000771117      
-     120      2      -23.6883      -23.6874      0.000445707      0.00395186      0.00109578      0.00116599      
-     121      2      -23.69      -23.6896      0.000217667      0.0022964      0.000626524      0.000393845      
-     122      2      -23.69      -23.6904      0.000211142      1.41383e-06      0      5.74041e-07      
-     123      2      -23.69      -23.6906      0.000280485      0.00222724      0.000598227      0.000384919      
-     124      2      -23.6888      -23.6891      0.000148511      0.00311228      0.000818007      0.000764844      
-     125      2      -23.6897      -23.6901      0.000208179      0.00320072      0.000874077      0.000775696      
-     126      2      -23.6901      -23.6905      0.000174492      0.0022128      0.000593998      0.000382105      
-     127      2      -23.6902      -23.6899      0.000190403      0.00322276      0.000886012      0.000778976      
+     28      2      -23.6898      -23.6894      0.000205691      0.00155716      0.000622275      0.000221848      
+     29      2      -23.69      -23.6899      6.43456e-05      0.00156383      0.000616605      0.000224327      
+     30      2      -23.6903      -23.69      0.000163505      0.00217762      0.000881043      0.000434227      
+     31      2      -23.6912      -23.691      0.000135634      2.55564e-06      0      1.01532e-06      
+     32      2      -23.6902      -23.6905      0.000149845      0.00158064      0.000598227      0.000232542      
+     33      2      -23.6902      -23.6904      0.000107964      0.00158917      0.000592572      0.000236103      
+     34      2      -23.6899      -23.6892      0.000347604      0.00154581      0.000627936      0.000218285      
+     35      2      -23.6908      -23.6905      0.00014623      0.00220484      0.000864014      0.00044745      
+     36      2      -23.6902      -23.6899      0.000129599      0.00158069      0.000615215      0.0002299      
+     37      2      -23.6905      -23.6906      5.4779e-05      0.00157905      0.000603873      0.000230999      
+     38      2      -23.691      -23.6902      0.000372098      0.00268332      0.0010737      0.000657124      
+     39      2      -23.6901      -23.6893      0.000432111      0.00217403      0.000890013      0.000428946      
+     40      2      -23.6902      -23.6898      0.000229189      0.00268283      0.00108025      0.000654184      
+     41      2      -23.6895      -23.6897      6.89444e-05      0.00222505      0.000868003      0.000452775      
+     42      2      -23.6899      -23.6901      9.45084e-05      0.0034476      0.00137382      0.000664145      
+     43      2      -23.6888      -23.6881      0.000368563      0.00153866      0.000633613      0.00021559      
+     44      2      -23.6903      -23.6892      0.000509153      0.00219415      0.00088801      0.000435921      
+     45      2      -23.6899      -23.6895      0.000175007      0.00219858      0.000886001      0.000438232      
+     46      2      -23.6877      -23.6863      0.000693599      0.00155595      0.000640678      0.000218941      
+     47      2      -23.6899      -23.6901      0.000102311      0.00219862      0.000841016      0.000452741      
+     48      2      -23.6908      -23.6908      1.09361e-05      0.0021774      0.000850007      0.000443099      
+     49      2      -23.6899      -23.6903      0.000175769      0.00267789      0.00104432      0.000666608      
+     50      2      -23.6907      -23.6906      7.49374e-05      0.00268093      0.00105083      0.000665477      
+     51      2      -23.6904      -23.6907      0.000135597      0.00156442      0.000603891      0.000227529      
+     52      2      -23.6907      -23.6906      4.96468e-05      0.00218866      0.000859006      0.00044377      
+     53      2      -23.6908      -23.6907      7.69875e-05      0.00218715      0.000859011      0.000443884      
+     54      2      -23.6899      -23.6902      0.000170471      0.00215395      0.000873005      0.000427775      
+     55      2      -23.6895      -23.6889      0.000298509      0.00219437      0.000880031      0.000440199      
+     56      2      -23.6896      -23.6901      0.000289396      0.00159546      0.000593997      0.000237703      
+     57      2      -23.6884      -23.6874      0.000483807      0.002195      0.000903059      0.000433544      
+     58      2      -23.6904      -23.6898      0.000291229      0.00220614      0.000874001      0.000444156      
+     59      2      -23.6902      -23.6904      0.000106059      2.11151e-06      0      7.88855e-07      
+     60      2      -23.69      -23.6904      0.000200232      0.00157334      0.00060675      0.000231636      
+     61      2      -23.6888      -23.6889      4.72372e-05      0.00218254      0.000825005      0.000453017      
+     62      2      -23.6903      -23.6905      0.000123325      0.00382687      0.00147578      0.00089416      
+     63      2      -23.6903      -23.6906      0.000105263      0.00152022      0.00059966      0.000218843      
+     64      2      -23.69      -23.6895      0.000268404      0.0015723      0.000619438      0.000225429      
+     65      2      -23.6902      -23.6899      0.000186238      0.00217745      0.000886012      0.000432058      
+     66      2      -23.6898      -23.6893      0.000237765      0.00351581      0.00139648      0.000667272      
+     67      2      -23.6903      -23.6905      5.96396e-05      0.00155135      0.000593983      0.000227094      
+     68      2      -23.6893      -23.6898      0.000260257      0.00216137      0.000834059      0.000444698      
+     69      2      -23.6896      -23.69      0.00019285      0.00155523      0.000589769      0.000230029      
+     70      2      -23.6904      -23.6906      6.11061e-05      0.00156786      0.000593978      0.000230851      
+     71      2      -23.6901      -23.6902      5.85268e-05      0.00267791      0.00108432      0.000650577      
+     72      2      -23.6904      -23.6906      0.000113797      0.00152215      0.000602468      0.000218422      
+     73      2      -23.6898      -23.6898      2.5869e-05      0.00218098      0.000879069      0.000436467      
+     74      2      -23.69      -23.6903      0.000124144      1.8201e-06      0      5.36073e-07      
+     75      2      -23.6909      -23.6906      0.000125818      0.00153278      0.000613775      0.0002181      
+     76      2      -23.6903      -23.6906      0.000144202      2.38106e-06      0      9.71812e-07      
+     77      2      -23.6906      -23.6906      1.99557e-05      0.00216763      0.000859033      0.000437948      
+     78      2      -23.6892      -23.6879      0.000626919      0.00220679      0.000901011      0.000436667      
+     79      2      -23.6907      -23.6907      1.8298e-05      0.00221258      0.000847006      0.000455162      
+     80      2      -23.69      -23.69      2.33356e-05      0.00154887      0.000619447      0.000220662      
+     81      2      -23.6897      -23.6896      4.80197e-05      0.00221243      0.000874073      0.00044868      
+     82      2      -23.6907      -23.6907      2.10187e-05      0.00154633      0.000612376      0.000222046      
+     83      2      -23.69      -23.6902      0.000101362      0.00216385      0.000875005      0.000429873      
+     84      2      -23.6888      -23.6879      0.000478748      0.00268659      0.00111207      0.000642765      
+     85      2      -23.6902      -23.6901      5.04874e-05      0.00217144      0.000868018      0.000436282      
+     86      2      -23.691      -23.6908      6.70267e-05      0.00152385      0.000608113      0.000217008      
+     87      2      -23.6905      -23.6906      6.12809e-05      0.00301462      0.00121767      0.000426464      
+     88      2      -23.6904      -23.6907      0.000120608      0.0015259      0.000602477      0.000220105      
+     89      2      -23.6897      -23.6903      0.000278757      0.00267666      0.0010435      0.000666527      
+     90      2      -23.6904      -23.6907      0.000165231      0.00155594      0.000601074      0.0002275      
+     91      2      -23.69      -23.6901      3.22004e-05      0.00221279      0.000873023      0.000448297      
+     92      2      -23.6895      -23.6884      0.000535035      0.00155206      0.00063218      0.000219103      
+     93      2      -23.6895      -23.6887      0.000390648      0.00268815      0.00109247      0.000651331      
+     94      2      -23.6904      -23.6905      7.88751e-05      0.00216919      0.000861015      0.000436185      
+     95      2      -23.6897      -23.6897      1.6532e-07      0.0015138      0.000625129      0.0002117      
+     96      2      -23.6902      -23.6906      0.000174613      1.86774e-06      0      5.87176e-07      
+     97      2      -23.6894      -23.6888      0.000314239      0.0015741      0.000625114      0.000225751      
+     98      2      -23.689      -23.6893      0.000164854      0.00218411      0.00082906      0.000454431      
+     99      2      -23.6879      -23.6874      0.000244742      0.0026873      0.00112024      0.00063971      
+     100      2      -23.6908      -23.6907      4.84784e-05      0.00155675      0.00061094      0.000223434      
+     101      2      -23.6887      -23.6894      0.000330672      0.00153027      0.000588355      0.000224703      
+     102      2      -23.6906      -23.69      0.000294632      0.00217815      0.000881006      0.000433051      
+     103      2      -23.6896      -23.69      0.000186243      0.00217024      0.00084502      0.000443633      
+     104      2      -23.6906      -23.6908      9.01574e-05      0.00153665      0.000599642      0.000222546      
+     105      2      -23.6903      -23.6898      0.000262183      0.0021784      0.000880022      0.000433011      
+     106      2      -23.6901      -23.6906      0.000217323      0.0021703      0.000856001      0.000438731      
+     107      2      -23.6904      -23.6906      9.34124e-05      0.00220649      0.000839002      0.000456503      
+     108      2      -23.6896      -23.6888      0.000422817      0.00221199      0.000891019      0.000441705      
+     109      2      -23.6908      -23.69      0.000385455      0.00155904      0.000619429      0.00022266      
+     110      2      -23.6888      -23.6877      0.000529429      0.00269353      0.00108759      0.00065553      
+     111      2      -23.6912      -23.691      8.50304e-05      0.00219004      0.000854004      0.000445361      
+     112      2      -23.6899      -23.689      0.000422394      1.60912e-06      0      6.28746e-07      
+     113      2      -23.69      -23.69      3.33262e-06      1.80948e-06      0      6.9691e-07      
+     114      2      -23.6902      -23.6906      0.000204517      0.00216766      0.000858001      0.000437286      
+     115      2      -23.6902      -23.6906      0.000198752      0.00218984      0.000868007      0.000441363      
+     116      2      -23.6898      -23.6902      0.000235125      0.00157851      0.000592589      0.000234979      
+     117      2      -23.6901      -23.6905      0.000195226      0.00219985      0.000850029      0.000452358      
+     118      2      -23.691      -23.6905      0.000255929      0.00219536      0.00087401      0.000441615      
+     119      2      -23.6894      -23.6896      8.96636e-05      0.00215494      0.000832019      0.000442485      
+     120      2      -23.6884      -23.6874      0.000468553      0.00269305      0.00109578      0.000652082      
+     121      2      -23.6899      -23.6896      0.000154245      0.00150497      0.000626524      0.000208768      
+     122      2      -23.6899      -23.6904      0.000230467      9.75178e-07      0      3.94821e-07      
+     123      2      -23.6901      -23.6906      0.000231799      0.00154959      0.000598227      0.000225333      
+     124      2      -23.689      -23.6891      7.73643e-05      0.00218522      0.000818007      0.000456552      
+     125      2      -23.6897      -23.6901      0.000245324      0.00218022      0.000874077      0.000438441      
+     126      2      -23.6902      -23.6905      0.000154357      0.00156839      0.000593998      0.000231935      
+     127      2      -23.6902      -23.6899      0.000180553      0.00217263      0.000886012      0.000430229      
 # Elastic_FCC.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     128      4      -46.4377      -46.4379      4.91765e-05      0.00271512      0.00126595      0.000372242      
-     129      4      -46.4398      -46.4385      0.000335932      0.00344207      0.00149255      0.000490669      
-     130      4      -46.4356      -46.4364      0.000198063      0.00115439      0.000810592      0.000139388      
-     131      4      -46.4404      -46.4416      0.000291132      0.00361094      0.00128368      0.000582656      
-     132      4      -46.4169      -46.417      9.04715e-06      0.00277089      0.00118615      0.000361479      
-     133      4      -46.4384      -46.4405      0.000524333      0.00343794      0.00121244      0.000535298      
-     134      4      -46.438      -46.438      1.89735e-05      0.00394789      0.00235823      0.000434397      
-     135      4      -46.4466      -46.4459      0.000176572      0.00381811      0.00203395      0.000478248      
-     136      4      -46.4357      -46.4357      1.30824e-05      0.00197336      0.00169085      0.000209168      
-     137      4      -46.4397      -46.4382      0.000372142      0.0027453      0.00116005      0.000346417      
-     138      4      -46.4272      -46.4263      0.000223263      0.00113922      0.000529702      0.000108291      
-     139      4      -46.4415      -46.4433      0.000439952      0.00361254      0.00181842      0.000422871      
-     140      4      -46.4388      -46.439      5.73813e-05      0.00313191      0.00141697      0.000436038      
-     141      4      -46.4316      -46.4324      0.000199331      0.00364948      0.00101047      0.000631094      
-     142      4      -46.412      -46.4127      0.000169968      0.00457672      0.00180196      0.000802677      
-     143      4      -46.4425      -46.4432      0.000179056      0.00266655      0.00169159      0.000260943      
-     144      4      -46.431      -46.4315      0.000123353      0.00459123      0.00168054      0.000837515      
-     145      4      -46.4337      -46.4356      0.000470595      0.00266337      0.000959304      0.000365496      
-     146      4      -46.4388      -46.4377      0.000286451      0.00337715      0.00121771      0.000555369      
-     147      4      -46.4279      -46.4284      0.000146101      0.00300773      0.00206008      0.000293777      
-     148      4      -46.4324      -46.4323      2.38578e-05      0.00245404      0.00062742      0.000360281      
-     149      4      -46.4413      -46.4423      0.000257866      0.00358687      0.00242444      0.000408843      
-     150      4      -46.4372      -46.4366      0.000143733      0.00113272      0.000532124      0.000136585      
-     151      4      -46.4307      -46.4308      4.18066e-05      0.00346916      0.00139999      0.000521681      
-     152      4      -46.4327      -46.4331      0.000112487      0.00115333      0.000727277      9.20524e-05      
-     153      4      -46.4342      -46.4343      3.88801e-05      0.00271703      0.00128445      0.000335174      
-     154      4      -46.43      -46.4306      0.000143382      0.00275608      0.00131575      0.000313723      
-     155      4      -46.4465      -46.4457      0.000204066      0.00409476      0.00180789      0.000668819      
-     156      4      -46.4359      -46.4359      5.75524e-06      0.00270203      0.0018693      0.00021132      
-     157      4      -46.4399      -46.4421      0.000552951      0.00238962      0.000602093      0.000321183      
-     158      4      -46.4357      -46.4344      0.000312875      0.00196152      0.00109298      0.000211811      
-     159      4      -46.4382      -46.4363      0.000463649      0.00377394      0.00183915      0.000491885      
-     160      4      -46.4237      -46.4239      4.87133e-05      0.00350743      0.00146346      0.000546868      
-     161      4      -46.4275      -46.4281      0.000142594      0.00251309      0.00085845      0.00033082      
-     162      4      -46.4264      -46.4269      0.000134355      0.00320748      0.00184572      0.000389218      
-     163      4      -46.4234      -46.4211      0.000554142      0.00375786      0.00130915      0.000579316      
-     164      4      -46.4307      -46.4322      0.000376284      0.00165886      0.000725311      0.000223801      
-     165      4      -46.4306      -46.4294      0.000286671      0.00275535      0.00106833      0.00037507      
-     166      4      -46.4451      -46.4451      9.3992e-06      0.00285865      0.00177604      0.000269359      
-     167      4      -46.4348      -46.4359      0.000269305      0.00383999      0.00237607      0.000464931      
-     168      4      -46.439      -46.4397      0.000177636      0.00110284      0.0011194      1.54041e-05      
-     169      4      -46.4268      -46.4283      0.000369141      0.00389853      0.001277      0.000706461      
-     170      4      -46.4237      -46.4246      0.000213379      0.00250667      0.000803296      0.000309347      
-     171      4      -46.4122      -46.413      0.000199998      0.00305957      0.00124832      0.000380026      
-     172      4      -46.4348      -46.437      0.000558456      0.00203208      0.00133194      0.000203718      
-     173      4      -46.4433      -46.4436      7.47375e-05      0.0033554      0.00117705      0.000548142      
-     174      4      -46.4403      -46.4397      0.000136496      3.18132e-06      0      8.50451e-07      
-     175      4      -46.4371      -46.4355      0.00039529      0.00359434      0.000933839      0.000648741      
-     176      4      -46.4338      -46.4348      0.000234434      0.0036275      0.00117329      0.000591294      
-     177      4      -46.4361      -46.4349      0.00028948      0.00379661      0.00134949      0.000665795      
-     178      4      -46.4272      -46.4265      0.000185066      0.00365585      0.00124894      0.000654554      
-     179      4      -46.4373      -46.437      5.96721e-05      0.00159955      0.000938419      0.000178431      
-     180      4      -46.429      -46.4289      1.43398e-05      0.00369624      0.00128635      0.000574313      
-     181      4      -46.441      -46.4425      0.000386214      0.00245856      0.000948555      0.000338045      
-     182      4      -46.4304      -46.4287      0.00042641      0.00347172      0.00142432      0.000497756      
-     183      4      -46.4331      -46.4334      5.52752e-05      0.0036309      0.00127638      0.000551486      
-     184      4      -46.4396      -46.4388      0.000202432      0.00162362      0.000818694      0.000195237      
-     185      4      -46.4414      -46.442      0.000160417      0.00265222      0.00188774      0.000183861      
-     186      4      -46.4375      -46.439      0.000371764      0.00159817      0.000821568      0.000189537      
-     187      4      -46.4371      -46.437      2.43106e-05      0.00292136      0.00148232      0.00037264      
-     188      4      -46.4279      -46.4272      0.000153902      0.0029352      0.00129389      0.000356574      
-     189      4      -46.439      -46.438      0.000234169      0.00378948      0.00162729      0.000573914      
-     190      4      -46.4202      -46.4201      3.94314e-05      0.00403462      0.00239524      0.000475499      
-     191      4      -46.4456      -46.4452      8.66786e-05      0.00337598      0.00121933      0.000516836      
-     192      4      -46.4444      -46.446      0.000410975      0.00267143      0.00130533      0.000303016      
-     193      4      -46.4355      -46.4345      0.000246163      0.00269077      0.000832334      0.000422949      
-     194      4      -46.4426      -46.4446      0.000493724      0.00237071      0.000974421      0.00024051      
-     195      4      -46.4411      -46.4418      0.000158472      0.00359616      0.00133923      0.000621894      
-     196      4      -46.4373      -46.4364      0.000218873      0.00375516      0.00178674      0.000532141      
-     197      4      -46.4451      -46.4464      0.000318647      0.00241362      0.000658878      0.000345747      
-     198      4      -46.4488      -46.4498      0.000248884      0.00365839      0.00213506      0.000432166      
-     199      4      -46.4255      -46.4272      0.000434343      0.00354502      0.00105079      0.000600013      
-     200      4      -46.4269      -46.4279      0.000229238      0.00354192      0.00148767      0.000528786      
-     201      4      -46.4418      -46.44      0.000447306      0.0023984      0.000757203      0.000284455      
-     202      4      -46.4364      -46.4372      0.000196725      0.00274256      0.00150559      0.000289218      
-     203      4      -46.4233      -46.4226      0.000159716      0.00272711      0.00160171      0.000376249      
-     204      4      -46.4429      -46.4435      0.000150434      0.00375857      0.0015903      0.000570746      
-     205      4      -46.4393      -46.4399      0.000160326      0.00362563      0.00153049      0.000531464      
-     206      4      -46.4377      -46.4377      5.64647e-07      0.00450724      0.00244025      0.00055168      
-     207      4      -46.444      -46.4456      0.000383007      0.00260797      0.00113392      0.000348551      
-     208      4      -46.4389      -46.4391      6.18068e-05      0.00381806      0.00183073      0.000511099      
-     209      4      -46.4438      -46.4431      0.000175439      0.00111222      0.000576687      0.000107461      
-     210      4      -46.4406      -46.4397      0.000222227      0.0026435      0.00120417      0.000314193      
-     211      4      -46.4363      -46.4364      1.02829e-05      0.00341527      0.00146166      0.000554687      
-     212      4      -46.4275      -46.4266      0.000237721      0.00277207      0.00135962      0.000267195      
-     213      4      -46.4338      -46.434      4.74815e-05      0.00291562      0.00139113      0.000371929      
-     214      4      -46.4361      -46.4363      4.82667e-05      0.00398659      0.00250335      0.000495671      
-     215      4      -46.4329      -46.4345      0.000389786      0.00302727      0.00104164      0.000514928      
-     216      4      -46.4383      -46.4388      0.000112309      0.00294056      0.00109829      0.000409401      
-     217      4      -46.4387      -46.4403      0.000388594      0.00116483      0.000606989      0.0001457      
-     218      4      -46.4251      -46.4229      0.000572319      0.00119294      0.000736524      0.000110947      
-     219      4      -46.4182      -46.4181      3.70933e-05      0.00394063      0.00202841      0.000575042      
-     220      4      -46.4404      -46.4405      2.35622e-05      0.00267455      0.00115819      0.000384845      
-     221      4      -46.4096      -46.4098      5.39267e-05      0.00283416      0.00175957      0.000287317      
-     222      4      -46.4417      -46.4403      0.000332099      0.0023593      0.000953404      0.000267634      
-     223      4      -46.4379      -46.4377      4.975e-05      0.00160659      0.00092618      0.000129317      
-     224      4      -46.4177      -46.4165      0.000283914      0.0025408      0.000757366      0.000325609      
-     225      4      -46.4409      -46.4403      0.000140404      0.00263599      0.000772539      0.000405375      
-     226      4      -46.4397      -46.4384      0.00033387      0.00237389      0.000561202      0.000308684      
-     227      4      -46.4404      -46.4389      0.00037103      0.0027371      0.00165088      0.000277225      
+     128      4      -46.4376      -46.4379      9.12833e-05      0.00129814      0.00126595      0.000176566      
+     129      4      -46.4401      -46.4385      0.000387741      0.000432624      0.00149255      0.000270961      
+     130      4      -46.4355      -46.4364      0.000218432      0.00127529      0.000810592      0.000161262      
+     131      4      -46.4404      -46.4416      0.00029251      0.001365      0.00128368      0.000215318      
+     132      4      -46.417      -46.417      2.5016e-06      0.00133089      0.00118615      0.000234947      
+     133      4      -46.4383      -46.4405      0.000538686      0.000428708      0.00121244      0.000182183      
+     134      4      -46.438      -46.438      1.8739e-06      0.00226939      0.00235823      0.000396088      
+     135      4      -46.4466      -46.4459      0.00017472      0.00219      0.00203395      0.000392479      
+     136      4      -46.4357      -46.4357      9.17925e-07      0.00227579      0.00169085      0.000253203      
+     137      4      -46.4396      -46.4382      0.000351567      0.00132703      0.00116005      0.000216121      
+     138      4      -46.4272      -46.4263      0.000225224      0.00128514      0.000529702      0.000137401      
+     139      4      -46.4414      -46.4433      0.00047672      0.001333      0.00181842      0.000306689      
+     140      4      -46.4388      -46.439      5.646e-05      0.00223961      0.00141697      0.000336116      
+     141      4      -46.4317      -46.4324      0.000187664      0.00138666      0.00101047      0.000171912      
+     142      4      -46.4122      -46.4127      0.000124189      0.00143543      0.00180196      0.000383793      
+     143      4      -46.4423      -46.4432      0.000223988      0.00132555      0.00169159      0.000380752      
+     144      4      -46.431      -46.4315      0.000121809      0.00190464      0.00168054      0.000271889      
+     145      4      -46.4336      -46.4356      0.000490001      0.00129998      0.000959304      0.000190061      
+     146      4      -46.4388      -46.4377      0.00027991      0.000405933      0.00121771      0.00021806      
+     147      4      -46.428      -46.4284      0.000121182      0.0018568      0.00206008      0.00039447      
+     148      4      -46.4323      -46.4323      1.53309e-05      0.000307635      0.00062742      9.29364e-05      
+     149      4      -46.4413      -46.4423      0.000254559      0.00135745      0.00242444      0.000473592      
+     150      4      -46.4372      -46.4366      0.000139301      0.00123524      0.000532124      0.000160772      
+     151      4      -46.4307      -46.4308      2.10648e-05      0.000432988      0.00139999      0.000242804      
+     152      4      -46.4327      -46.4331      0.000111025      0.00130485      0.000727277      0.000122579      
+     153      4      -46.4341      -46.4343      5.88356e-05      0.00128746      0.00128445      0.000223422      
+     154      4      -46.4299      -46.4306      0.000169679      0.00135216      0.00131575      0.000219934      
+     155      4      -46.4464      -46.4457      0.000179895      0.000491493      0.00180789      0.000371338      
+     156      4      -46.4359      -46.4359      6.2871e-06      0.00131182      0.0018693      0.000301928      
+     157      4      -46.4399      -46.4421      0.000557386      0.00028896      0.000602093      7.06211e-05      
+     158      4      -46.4355      -46.4344      0.000276556      0.00217832      0.00109298      0.000256142      
+     159      4      -46.438      -46.4363      0.000435357      0.00178678      0.00183915      0.000307051      
+     160      4      -46.4239      -46.4239      1.9862e-05      0.000443073      0.00146346      0.000255772      
+     161      4      -46.4276      -46.4281      0.000133727      0.000328365      0.00085845      0.000128765      
+     162      4      -46.4264      -46.4269      0.000125386      0.00226011      0.00184572      0.000318478      
+     163      4      -46.4233      -46.4211      0.000539593      0.00135194      0.00130915      0.000193412      
+     164      4      -46.4307      -46.4322      0.000378027      0.00184936      0.000725311      0.00026688      
+     165      4      -46.4307      -46.4294      0.000327453      0.00132022      0.00106833      0.000199964      
+     166      4      -46.445      -46.4451      4.47165e-05      0.00178309      0.00177604      0.000287982      
+     167      4      -46.4347      -46.4359      0.000287872      0.00186921      0.00237607      0.000468522      
+     168      4      -46.4389      -46.4397      0.000197065      0.00122497      0.0011194      2.91557e-05      
+     169      4      -46.4269      -46.4283      0.000346839      0.00190839      0.001277      0.000264684      
+     170      4      -46.4238      -46.4246      0.000185918      0.000323914      0.000803296      9.77522e-05      
+     171      4      -46.4125      -46.413      0.000146127      0.00190117      0.00124832      0.000217655      
+     172      4      -46.4347      -46.437      0.000563723      0.00223268      0.00133194      0.000250285      
+     173      4      -46.4432      -46.4436      9.53719e-05      0.000401632      0.00117705      0.00019437      
+     174      4      -46.4402      -46.4397      0.000130528      5.39709e-07      0      1.36172e-07      
+     175      4      -46.4371      -46.4355      0.000400775      0.001331      0.000933839      0.000172486      
+     176      4      -46.4338      -46.4348      0.000246337      0.00130523      0.00117329      0.000172831      
+     177      4      -46.4361      -46.4349      0.000301619      0.00185282      0.00134949      0.000299074      
+     178      4      -46.4273      -46.4265      0.00021212      0.00134494      0.00124894      0.00028684      
+     179      4      -46.4373      -46.437      6.76673e-05      0.00179052      0.000938419      0.000220077      
+     180      4      -46.4291      -46.4289      3.64093e-05      0.00135743      0.00128635      0.000234894      
+     181      4      -46.4409      -46.4425      0.000398704      0.000314473      0.000948555      0.000173515      
+     182      4      -46.4304      -46.4287      0.000420474      0.000434161      0.00142432      0.000244412      
+     183      4      -46.4333      -46.4334      6.5299e-06      0.00132327      0.00127638      0.000218822      
+     184      4      -46.4397      -46.4388      0.000226921      0.00179506      0.000818694      0.000237618      
+     185      4      -46.4414      -46.442      0.000150546      0.00130076      0.00188774      0.000327535      
+     186      4      -46.4375      -46.439      0.000391099      0.00181002      0.000821568      0.000241246      
+     187      4      -46.4369      -46.437      1.30911e-05      0.0018278      0.00148232      0.000285807      
+     188      4      -46.428      -46.4272      0.000194961      0.0018322      0.00129389      0.000186107      
+     189      4      -46.4389      -46.438      0.000215694      0.00178205      0.00162729      0.00034955      
+     190      4      -46.4203      -46.4201      6.39991e-05      0.00232786      0.00239524      0.000584901      
+     191      4      -46.4455      -46.4452      6.32029e-05      0.000410959      0.00121933      0.000193817      
+     192      4      -46.4444      -46.446      0.000416901      0.00130676      0.00130533      8.56867e-05      
+     193      4      -46.4356      -46.4345      0.000286705      0.00126985      0.000832334      0.000235835      
+     194      4      -46.4426      -46.4446      0.000497562      0.000284194      0.000974421      0.000120388      
+     195      4      -46.441      -46.4418      0.000195492      0.00134404      0.00133923      0.00028799      
+     196      4      -46.4373      -46.4364      0.000234161      0.00178659      0.00178674      0.000298237      
+     197      4      -46.445      -46.4464      0.000353224      0.000299253      0.000658878      9.80667e-05      
+     198      4      -46.4487      -46.4498      0.000288446      0.00180695      0.00213506      0.00047117      
+     199      4      -46.4256      -46.4272      0.000393592      0.000460058      0.00105079      0.000145676      
+     200      4      -46.427      -46.4279      0.000224708      0.000458709      0.00148767      0.00025483      
+     201      4      -46.4419      -46.44      0.000452838      0.000292493      0.000757203      9.05702e-05      
+     202      4      -46.4364      -46.4372      0.00020854      0.00135761      0.00150559      0.000269724      
+     203      4      -46.4233      -46.4226      0.000164991      0.00131737      0.00160171      0.000293723      
+     204      4      -46.443      -46.4435      0.000139902      0.00178802      0.0015903      0.000307816      
+     205      4      -46.4391      -46.4399      0.000204046      0.00133359      0.00153049      0.000214836      
+     206      4      -46.4376      -46.4377      1.84404e-05      0.00187679      0.00244025      0.000545227      
+     207      4      -46.4439      -46.4456      0.000406105      0.00128066      0.00113392      0.000252463      
+     208      4      -46.4388      -46.4391      8.26119e-05      0.00184257      0.00183073      0.00039775      
+     209      4      -46.4438      -46.4431      0.000169702      0.00125855      0.000576687      0.000123441      
+     210      4      -46.4406      -46.4397      0.000213666      0.00126816      0.00120417      0.000221999      
+     211      4      -46.4364      -46.4364      2.28379e-06      0.000417073      0.00146166      0.00030401      
+     212      4      -46.4274      -46.4266      0.000218434      0.00132344      0.00135962      0.000161742      
+     213      4      -46.4339      -46.434      3.15292e-05      0.00183905      0.00139113      0.000265171      
+     214      4      -46.436      -46.4363      7.73884e-05      0.00225558      0.00250335      0.000325186      
+     215      4      -46.433      -46.4345      0.000368686      0.0018765      0.00104164      0.000297665      
+     216      4      -46.4384      -46.4388      9.71899e-05      0.00179404      0.00109829      0.000218173      
+     217      4      -46.4387      -46.4403      0.000396388      0.00128375      0.000606989      0.000167141      
+     218      4      -46.4254      -46.4229      0.000629259      0.00129555      0.000736524      0.000141194      
+     219      4      -46.4185      -46.4181      0.000104062      0.00189692      0.00202841      0.000247556      
+     220      4      -46.4404      -46.4405      3.07726e-05      0.00132865      0.00115819      0.000263752      
+     221      4      -46.4099      -46.4098      1.57087e-05      0.00136854      0.00175957      0.000145127      
+     222      4      -46.4415      -46.4403      0.000299565      0.000278781      0.000953404      0.000143143      
+     223      4      -46.4379      -46.4377      3.8168e-05      0.00178475      0.00092618      0.000158356      
+     224      4      -46.4179      -46.4165      0.00034325      0.000335831      0.000757366      9.56275e-05      
+     225      4      -46.4408      -46.4403      0.000120466      0.00127281      0.000772539      0.000181494      
+     226      4      -46.4398      -46.4384      0.000360226      0.000282129      0.000561202      5.37019e-05      
+     227      4      -46.4405      -46.4389      0.000394752      0.00131223      0.00165088      0.000335964      
 # GSF_110.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     228      24      -279.068      -279.069      1.83776e-05      1.7477      1.75635      0.00116558      
-     229      24      -279.791      -279.784      0.000264394      0.866521      0.905767      0.00752857      
-     230      24      -279.889      -279.902      0.00051761      0.0809759      0.00156595      0.00391868      
-     231      24      -279.578      -279.584      0.000242648      1.06072      1.03557      0.00691744      
-     232      24      -279.791      -279.784      0.000265016      0.866519      0.90564      0.00751433      
-     233      24      -279.304      -279.302      8.99605e-05      1.79424      1.77197      0.00752271      
-     234      24      -279.554      -279.556      8.77497e-05      1.45981      1.40563      0.00887208      
-     235      24      -279.248      -279.247      5.63853e-05      0.504779      0.481396      0.00630388      
-     236      24      -279.304      -279.302      9.008e-05      1.79425      1.77195      0.00752544      
-     237      24      -279.248      -279.247      5.67335e-05      0.504211      0.480948      0.00619436      
-     238      24      -279.889      -279.896      0.000282806      0.0813086      0.0106055      0.00396453      
-     239      24      -279.578      -279.584      0.000243248      1.06133      1.03584      0.00687461      
-     240      24      -279.129      -279.124      0.000182586      1.7975      1.80955      0.00481203      
-     241      24      -279.378      -279.379      4.73031e-05      0.883412      0.898269      0.00826809      
-     242      24      -279.378      -279.379      4.69416e-05      0.883073      0.898081      0.00820581      
-     243      24      -279.129      -279.124      0.000182551      1.79749      1.80952      0.00481233      
-     244      24      -279.889      -279.902      0.00051761      0.0809759      0.00157037      0.00391759      
-     245      24      -279.793      -279.793      1.1555e-06      0.799601      0.839261      0.00686074      
-     246      24      -279.889      -279.896      0.000282806      0.0813086      0.0106024      0.00396468      
-     247      24      -279.201      -279.206      0.000209252      0.0582135      0.00532652      0.00403798      
-     248      24      -279.554      -279.556      8.7648e-05      1.45982      1.40563      0.00886961      
-     249      24      -279.793      -279.793      1.28051e-06      0.799606      0.839263      0.00685441      
+     228      24      -279.069      -279.069      1.70262e-05      1.7816      1.75635      0.00524598      
+     229      24      -279.788      -279.784      0.000149699      0.860773      0.905767      0.00700924      
+     230      24      -279.89      -279.902      0.000482611      0.0769494      0.00156595      0.00385645      
+     231      24      -279.581      -279.584      0.00015137      1.04713      1.03557      0.00701793      
+     232      24      -279.788      -279.784      0.00015032      0.860771      0.90564      0.00700617      
+     233      24      -279.302      -279.302      1.802e-05      1.78891      1.77197      0.00879457      
+     234      24      -279.555      -279.556      2.74709e-05      1.44642      1.40563      0.0107464      
+     235      24      -279.247      -279.247      1.45255e-05      0.512114      0.481396      0.00558225      
+     236      24      -279.302      -279.302      1.78932e-05      1.78892      1.77195      0.00879569      
+     237      24      -279.247      -279.247      1.44547e-05      0.512124      0.480948      0.00572126      
+     238      24      -279.89      -279.896      0.000248154      0.0780254      0.0106055      0.0039132      
+     239      24      -279.581      -279.584      0.000151774      1.04785      1.03584      0.0070823      
+     240      24      -279.13      -279.124      0.000221784      1.78384      1.80955      0.0069107      
+     241      24      -279.377      -279.379      8.33047e-05      0.925137      0.898269      0.00731915      
+     242      24      -279.377      -279.379      8.3044e-05      0.924863      0.898081      0.00728071      
+     243      24      -279.13      -279.124      0.00022175      1.78383      1.80952      0.00690478      
+     244      24      -279.89      -279.902      0.000482611      0.0769494      0.00157037      0.00385579      
+     245      24      -279.791      -279.793      8.39204e-05      0.796275      0.839261      0.00586843      
+     246      24      -279.89      -279.896      0.000248154      0.0780254      0.0106024      0.00391292      
+     247      24      -279.204      -279.206      0.000101317      0.0882639      0.00532652      0.00419466      
+     248      24      -279.555      -279.556      2.73728e-05      1.44642      1.40563      0.010744      
+     249      24      -279.791      -279.793      8.38567e-05      0.79629      0.839263      0.00586528      
 # GSF_112.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     250      30      -345.18      -345.176      0.000149521      1.1708      1.0574      0.0128882      
-     251      30      -346.372      -346.362      0.000337914      1.23075      1.22028      0.0104598      
-     252      30      -345.791      -345.796      0.000135865      2.01282      2.11286      0.0153279      
-     253      30      -345.164      -345.165      1.00392e-05      1.76194      1.76583      0.0136372      
-     254      30      -346.584      -346.594      0.000329085      0.0917985      0.0114887      0.00568222      
-     255      30      -346.41      -346.396      0.000450269      1.00411      0.995468      0.0113875      
-     256      30      -345.324      -345.319      0.000157024      1.72934      1.77204      0.0149377      
-     257      30      -345.591      -345.595      0.000134991      1.47457      1.51601      0.0166446      
-     258      30      -345.991      -345.986      0.000179918      1.37961      1.40625      0.0148557      
-     259      30      -345.388      -345.384      0.000135534      0.983548      0.963574      0.0138473      
-     260      30      -346.584      -346.583      3.59813e-05      0.0919321      0.0126741      0.00566524      
-     261      30      -345.449      -345.452      0.000106876      2.73163      2.78772      0.0164682      
-     262      30      -346.584      -346.594      0.000329093      0.0918064      0.0114883      0.00568119      
-     263      30      -345.274      -345.282      0.000270085      1.94287      1.87314      0.0123734      
-     264      30      -345.928      -345.929      2.71684e-05      2.01939      2.10087      0.0141533      
-     265      30      -345.108      -345.112      0.000126273      3.4058      3.35807      0.016912      
-     266      30      -346.364      -346.367      8.78759e-05      1.33179      1.3358      0.010613      
-     267      30      -346.584      -346.583      3.59823e-05      0.0918355      0.0125474      0.00570569      
-     268      30      -344.914      -344.914      4.29494e-07      3.37158      3.44183      0.0161052      
-     269      30      -345.844      -345.837      0.000246653      1.63035      1.60877      0.0100971      
-     270      30      -344.983      -344.984      3.79677e-05      2.52022      2.54263      0.0135929      
-     271      30      -346.398      -346.394      0.000138358      1.19353      1.21168      0.00964876      
+     250      30      -345.183      -345.176      0.000241727      1.12235      1.0574      0.013803      
+     251      30      -346.371      -346.362      0.000324104      1.22589      1.22028      0.00862206      
+     252      30      -345.794      -345.796      6.67606e-05      2.03664      2.11286      0.0156603      
+     253      30      -345.166      -345.165      6.21168e-05      1.7801      1.76583      0.0126251      
+     254      30      -346.585      -346.594      0.000284268      0.104068      0.0114887      0.00704552      
+     255      30      -346.407      -346.396      0.000373276      1.01731      0.995468      0.00972696      
+     256      30      -345.321      -345.319      6.1092e-05      1.72026      1.77204      0.0148656      
+     257      30      -345.594      -345.595      2.45603e-05      1.53327      1.51601      0.0165189      
+     258      30      -345.993      -345.986      0.00024635      1.40007      1.40625      0.0143409      
+     259      30      -345.387      -345.384      8.37937e-05      0.945415      0.963574      0.012682      
+     260      30      -346.585      -346.583      7.97671e-05      0.106258      0.0126741      0.00720877      
+     261      30      -345.449      -345.452      0.000112707      2.74731      2.78772      0.0154875      
+     262      30      -346.585      -346.594      0.000284267      0.104066      0.0114883      0.00704329      
+     263      30      -345.279      -345.282      9.52393e-05      1.92144      1.87314      0.0130036      
+     264      30      -345.928      -345.929      1.7698e-05      2.03222      2.10087      0.0146004      
+     265      30      -345.111      -345.112      2.0424e-05      3.3687      3.35807      0.0147577      
+     266      30      -346.363      -346.367      0.000154081      1.36621      1.3358      0.0107938      
+     267      30      -346.585      -346.583      7.96622e-05      0.106329      0.0125474      0.00724272      
+     268      30      -344.906      -344.914      0.000238668      3.37734      3.44183      0.0154604      
+     269      30      -345.838      -345.837      5.26772e-05      1.62328      1.60877      0.0111724      
+     270      30      -344.98      -344.984      0.000128095      2.5033      2.54263      0.0134763      
+     271      30      -346.395      -346.394      3.61179e-05      1.18174      1.21168      0.0107899      
 # Liquid.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     272      100      -1105.65      -1105.6      0.000498395      31.2102      31.3985      0.153267      
-     273      100      -1099.61      -1099.67      0.000632044      31.8167      32.0317      0.148068      
-     274      100      -1121.33      -1121.32      0.000138019      20.5626      20.8108      0.136356      
+     272      100      -1105.67      -1105.6      0.000672441      31.1974      31.3985      0.164946      
+     273      100      -1099.56      -1099.67      0.00117178      31.7379      32.0317      0.149667      
+     274      100      -1121.37      -1121.32      0.000503276      20.4689      20.8108      0.142533      
 # Surface.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     275      24      -279.889      -279.912      0.000941236      0.0813084      0.00275309      0.00375574      
-     276      48      -555.36      -555.359      1.27784e-06      0.0521694      0.00302063      0.00165231      
-     277      40      -459.216      -459.216      5.35466e-06      5.0297      5.04614      0.00616256      
-     278      40      -461.144      -461.144      7.40974e-06      0.0531365      0.00558274      0.00260864      
-     279      24      -279.691      -279.635      0.00233667      1.5851      1.2888      0.0126006      
-     280      30      -346.584      -346.593      0.000295816      0.0917981      0.0084462      0.00554957      
-     281      30      -345.745      -345.745      1.93623e-05      3.1131      3.12496      0.0202455      
+     275      24      -279.89      -279.912      0.000906563      0.0780261      0.00275309      0.0037045      
+     276      48      -555.36      -555.359      2.0937e-06      0.0147712      0.00302063      0.000384381      
+     277      40      -459.216      -459.216      5.77366e-06      5.0326      5.04614      0.00552379      
+     278      40      -461.145      -461.144      1.13776e-05      0.0922014      0.00558274      0.00284656      
+     279      24      -279.693      -279.635      0.00241567      1.604      1.2888      0.013526      
+     280      30      -346.585      -346.593      0.000250975      0.104066      0.0084462      0.00692737      
+     281      30      -345.745      -345.745      2.59586e-05      3.11006      3.12496      0.017294      
 # Volume_A15.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     282      8      -66.991      -66.9907      3.2881e-05      6.15633e-14      0      1.00789e-14      
-     283      8      -72.9578      -72.9578      1.31649e-07      6.19475e-13      0      9.39535e-14      
-     284      8      -94.1461      -94.1457      4.36523e-05      1.1971e-13      0      1.81645e-14      
-     285      8      -94.5542      -94.5547      6.50714e-05      1.05669e-13      0      1.83813e-14      
-     286      8      -79.4383      -79.4384      5.72707e-06      7.22633e-13      0      9.9937e-14      
-     287      8      -69.6268      -69.6278      0.000130209      3.82275e-14      0      6.0393e-15      
-     288      8      -82.6047      -82.6049      2.52181e-05      7.2072e-14      0      1.09695e-14      
-     289      8      14.8905      14.8905      2.55961e-08      6.1693e-12      0      8.61045e-13      
-     290      8      -94.368      -94.3676      4.89694e-05      7.94169e-14      0      1.2207e-14      
-     291      8      -89.2475      -89.2482      8.48065e-05      4.3432e-14      0      6.93124e-15      
-     292      8      -87.2123      -87.212      3.54747e-05      5.11872e-14      0      8.21461e-15      
-     293      8      -93.6686      -93.669      4.91406e-05      4.58047e-14      0      7.15801e-15      
-     294      8      -7.98917      -7.98917      1.75264e-07      4.69702e-12      0      6.30879e-13      
-     295      8      -84.9835      -84.9828      8.72365e-05      2.84873e-14      0      4.70989e-15      
-     296      8      -92.537      -92.5364      7.37466e-05      5.64208e-14      0      8.74532e-15      
-     297      8      -26.7761      -26.7761      4.99459e-07      2.11192e-12      0      2.62105e-13      
-     298      8      -77.5439      -77.5441      2.81489e-05      7.21008e-14      0      1.09383e-14      
-     299      8      -80.1137      -80.1142      6.99133e-05      5.56696e-14      0      8.75825e-15      
-     300      8      -42.143      -42.143      1.11833e-06      1.24389e-12      0      2.05993e-13      
-     301      8      -91.0405      -91.0407      1.77303e-05      5.56092e-14      0      8.65144e-15      
-     302      8      -84.4993      -84.4992      9.04496e-06      2.67234e-13      0      4.19514e-14      
-     303      8      -61.8251      -61.8252      1.25338e-05      5.67909e-14      0      9.38751e-15      
-     304      8      -91.1569      -91.1569      3.01368e-07      1.11989e-13      0      1.8439e-14      
-     305      8      -54.6587      -54.6587      2.17675e-06      1.19005e-12      0      1.51297e-13      
-     306      8      -72.2778      -72.2773      6.72543e-05      3.44728e-14      0      5.46588e-15      
-     307      8      -74.924      -74.9233      7.73502e-05      8.91326e-14      0      1.38447e-14      
-     308      8      -64.7981      -64.7981      2.58446e-06      7.25413e-13      0      9.1666e-14      
-     309      8      -93.0483      -93.0483      7.87923e-06      1.28269e-13      0      2.21606e-14      
-     310      8      -64.3872      -64.387      2.74065e-05      4.14515e-14      0      6.67716e-15      
-     311      8      -88.3528      -88.3529      5.6935e-06      2.21372e-13      0      3.6544e-14      
+     282      8      -66.9924      -66.9907      0.000208964      1.35536e-13      0      1.79279e-14      
+     283      8      -72.9578      -72.9578      4.40473e-06      9.99406e-13      0      1.55813e-13      
+     284      8      -94.146      -94.1457      3.54668e-05      1.47163e-13      0      2.31088e-14      
+     285      8      -94.5545      -94.5547      2.34596e-05      1.18351e-13      0      1.76714e-14      
+     286      8      -79.4384      -79.4384      6.9237e-06      4.4645e-13      0      7.64139e-14      
+     287      8      -69.627      -69.6278      0.000102397      8.39462e-14      0      1.42326e-14      
+     288      8      -82.6041      -82.6049      0.000104396      7.77768e-14      0      1.12335e-14      
+     289      8      14.8905      14.8905      2.6364e-08      4.33084e-12      0      7.11437e-13      
+     290      8      -94.3673      -94.3676      3.39411e-05      7.02153e-14      0      8.83601e-15      
+     291      8      -89.2482      -89.2482      3.63058e-06      9.954e-14      0      1.52621e-14      
+     292      8      -87.2127      -87.212      9.38316e-05      1.06233e-13      0      1.45291e-14      
+     293      8      -93.6697      -93.669      8.62047e-05      5.40123e-14      0      8.32408e-15      
+     294      8      -7.98917      -7.98917      1.31631e-07      2.72638e-12      0      4.40817e-13      
+     295      8      -84.9828      -84.9828      7.59112e-06      1.12369e-13      0      1.77953e-14      
+     296      8      -92.536      -92.5364      4.13976e-05      7.1852e-14      0      1.1608e-14      
+     297      8      -26.7761      -26.7761      2.45286e-07      1.74317e-12      0      3.06354e-13      
+     298      8      -77.5448      -77.5441      8.08571e-05      1.12173e-13      0      1.42034e-14      
+     299      8      -80.1143      -80.1142      5.40069e-06      9.78738e-14      0      1.46136e-14      
+     300      8      -42.143      -42.143      3.91038e-07      1.03141e-12      0      1.62826e-13      
+     301      8      -91.0403      -91.0407      4.06944e-05      1.06844e-13      0      1.54285e-14      
+     302      8      -84.4992      -84.4992      7.05781e-06      3.89875e-13      0      5.25664e-14      
+     303      8      -61.8254      -61.8252      2.97285e-05      7.9389e-14      0      1.30365e-14      
+     304      8      -91.1569      -91.1569      7.53194e-06      1.18507e-13      0      2.10851e-14      
+     305      8      -54.6587      -54.6587      9.08757e-07      1.72713e-12      0      2.80541e-13      
+     306      8      -72.2767      -72.2773      6.92145e-05      9.57167e-14      0      1.59023e-14      
+     307      8      -74.9236      -74.9233      3.29402e-05      1.4446e-13      0      2.34227e-14      
+     308      8      -64.7981      -64.7981      2.17518e-06      4.83777e-13      0      8.16726e-14      
+     309      8      -93.0482      -93.0483      2.15426e-05      1.22571e-13      0      1.62897e-14      
+     310      8      -64.386      -64.387      0.000130234      1.61937e-13      0      1.89314e-14      
+     311      8      -88.3529      -88.3529      2.4074e-06      2.99342e-13      0      4.43043e-14      
 # Volume_BCC.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     312      2      -16.7636      -16.7636      2.2052e-06      4.8421e-15      0      1.78098e-15      
-     313      2      16.3141      16.3141      5.46448e-08      1.69557e-12      0      5.40588e-13      
-     314      2      -21.2091      -21.2091      1.63887e-06      5.13038e-14      0      1.75701e-14      
-     315      2      -15.7805      -15.7805      3.46137e-07      1.81227e-13      0      6.3319e-14      
-     316      2      -19.0022      -19.0022      4.57237e-07      2.29916e-13      0      7.43416e-14      
-     317      2      -22.6205      -22.6206      1.88679e-05      6.34866e-14      0      2.08722e-14      
-     318      2      4.09688      4.09689      1.05113e-07      4.85554e-13      0      1.59664e-13      
-     319      2      56.2628      56.2628      1.46176e-09      4.78293e-12      0      1.67247e-12      
-     320      2      -22.5851      -22.5851      1.7962e-05      1.1946e-14      0      4.07891e-15      
-     321      2      -21.7956      -21.7955      4.69516e-05      6.08489e-15      0      1.77e-15      
-     322      2      33.1101      33.1101      1.7539e-08      1.23728e-12      0      4.18795e-13      
-     323      2      -20.8859      -20.886      5.60635e-05      5.93657e-15      0      2.32453e-15      
-     324      2      -23.6018      -23.6013      0.000247998      3.63382e-14      0      1.18615e-14      
-     325      2      -23.2073      -23.2073      2.81672e-05      1.15098e-14      0      4.31946e-15      
-     326      2      -19.8982      -19.8981      4.39633e-05      7.09946e-15      0      2.38698e-15      
-     327      2      -23.4057      -23.4055      0.000121772      3.08291e-14      0      1.1389e-14      
-     328      2      -4.78132      -4.78132      1.75421e-07      6.61994e-13      0      2.41154e-13      
-     329      2      -18.8649      -18.8649      2.54691e-05      7.41609e-15      0      2.4795e-15      
-     330      2      -17.8131      -17.8131      1.08027e-05      4.45838e-15      0      1.63758e-15      
-     331      2      -11.1972      -11.1972      2.24823e-07      8.91144e-13      0      2.28343e-13      
-     332      2      -23.6846      -23.6967      0.00605601      5.40805e-14      0      2.14643e-14      
+     312      2      -16.7636      -16.7636      7.44193e-06      7.60731e-15      0      2.40144e-15      
+     313      2      16.3141      16.3141      1.2677e-08      3.19828e-13      0      9.23428e-14      
+     314      2      -21.2091      -21.2091      5.17876e-06      2.49818e-14      0      8.98296e-15      
+     315      2      -15.7805      -15.7805      1.66913e-07      2.91033e-13      0      9.64308e-14      
+     316      2      -19.0022      -19.0022      8.42552e-07      9.78095e-14      0      3.77169e-14      
+     317      2      -22.6205      -22.6206      2.63309e-05      2.71943e-14      0      1.06171e-14      
+     318      2      4.09688      4.09689      3.36872e-08      3.95796e-13      0      1.3795e-13      
+     319      2      56.2628      56.2628      2.8583e-10      5.29671e-12      0      1.35144e-12      
+     320      2      -22.5852      -22.5851      6.33853e-05      9.0322e-15      0      3.16414e-15      
+     321      2      -21.7953      -21.7955      9.2284e-05      1.58254e-14      0      6.23922e-15      
+     322      2      33.1101      33.1101      3.76232e-09      1.20405e-12      0      3.66933e-13      
+     323      2      -20.8862      -20.886      9.08772e-05      7.46683e-15      0      2.38351e-15      
+     324      2      -23.6018      -23.6013      0.000232212      2.40107e-14      0      7.98927e-15      
+     325      2      -23.2072      -23.2073      5.53831e-05      1.7315e-14      0      5.41985e-15      
+     326      2      -19.898      -19.8981      4.54669e-05      3.54612e-15      0      1.08709e-15      
+     327      2      -23.4057      -23.4055      0.000126108      3.12593e-14      0      9.84398e-15      
+     328      2      -4.78132      -4.78132      4.37557e-08      6.50343e-13      0      1.99442e-13      
+     329      2      -18.8649      -18.8649      4.41244e-06      1.212e-14      0      4.75199e-15      
+     330      2      -17.8131      -17.8131      1.8819e-05      7.11334e-15      0      2.48586e-15      
+     331      2      -11.1972      -11.1972      1.51862e-08      3.78954e-13      0      1.23056e-13      
+     332      2      -23.6851      -23.6967      0.00581309      2.97322e-14      0      1.0672e-14      
 # Volume_FCC.xyz
 |  config  |  # atoms  |  energy  | DFT energy | energy error |  force  | DFT force | force error |
-     333      4      -19.076      -19.076      5.40108e-07      2.31025e-13      0      4.88955e-14      
-     334      4      -34.8741      -34.8736      0.00011767      8.40244e-15      0      2.03814e-15      
-     335      4      -43.95      -43.95      7.03038e-06      1.15231e-14      0      2.80485e-15      
-     336      4      -40.9919      -40.9919      2.0883e-06      1.66067e-13      0      2.82344e-14      
-     337      4      -43.454      -43.4539      5.83733e-06      1.20474e-13      0      2.80631e-14      
-     338      4      -42.6858      -42.6861      6.39646e-05      2.78525e-14      0      7.02589e-15      
-     339      4      -33.2246      -33.2247      8.66738e-06      1.75676e-14      0      4.69417e-15      
-     340      4      -26.8627      -26.8627      5.34957e-08      4.99322e-13      0      1.04729e-13      
-     341      4      -25.5194      -25.5199      0.000115648      1.01307e-14      0      2.55474e-15      
-     342      4      3.46307      3.46307      2.27176e-07      8.17167e-13      0      1.84446e-13      
-     343      4      -31.5958      -31.5959      4.96511e-05      8.92732e-15      0      2.29328e-15      
-     344      4      -45.1004      -45.1005      2.63125e-05      4.71574e-14      0      1.01904e-14      
-     345      4      -46.0525      -46.0523      6.00796e-05      2.67212e-14      0      6.96758e-15      
-     346      4      -30.0012      -30.0012      2.20193e-06      7.34867e-15      0      1.92119e-15      
-     347      4      -22.8503      -22.8504      1.36859e-05      1.23134e-14      0      3.08667e-15      
-     348      4      -9.16469      -9.16469      4.68319e-07      7.37623e-13      0      1.8684e-13      
-     349      4      -24.1506      -24.1503      6.49415e-05      1.02346e-14      0      2.40196e-15      
-     350      4      -46.4364      -46.4268      0.00240092      1.86261e-14      0      4.55945e-15      
-     351      4      -28.4512      -28.4511      2.67546e-06      1.07601e-14      0      2.45111e-15      
-     352      4      40.3416      40.3416      1.31972e-09      3.18029e-12      0      7.63498e-13      
-     353      4      19.6179      19.6179      5.59967e-08      1.81225e-12      0      4.22763e-13      
-     354      4      -26.9547      -26.9544      7.94977e-05      1.15321e-14      0      2.89528e-15      
-     355      4      -46.3252      -46.3237      0.000375576      2.95238e-14      0      7.40161e-15      
-     356      4      -45.8279      -45.8289      0.000274167      2.06242e-14      0      5.25949e-15      
-     357      4      -38.1605      -38.1603      5.89892e-05      9.52232e-15      0      2.3768e-15      
-     358      4      -32.9197      -32.9197      1.24224e-06      2.51427e-13      0      5.46992e-14      
-     359      4      -41.2729      -41.2727      6.26115e-05      1.81068e-14      0      4.27242e-15      
-     360      4      -39.7532      -39.7533      3.56174e-05      1.58753e-14      0      3.99512e-15      
-     361      4      -37.5474      -37.5474      2.33631e-06      2.09165e-13      0      5.06773e-14      
-     362      4      -36.5254      -36.526      0.000125676      2.7627e-14      0      7.48568e-15      
-     363      4      -45.0166      -45.0161      0.000137839      1.48986e-14      0      3.34255e-15      
+     333      4      -19.076      -19.076      4.07071e-07      4.17313e-13      0      9.34253e-14      
+     334      4      -34.8744      -34.8736      0.00018754      2.25342e-14      0      5.32397e-15      
+     335      4      -43.9494      -43.95      0.000151261      3.34181e-14      0      7.61183e-15      
+     336      4      -40.9919      -40.9919      8.96314e-07      1.93077e-13      0      4.99858e-14      
+     337      4      -43.4539      -43.4539      2.88598e-06      1.35093e-13      0      2.90142e-14      
+     338      4      -42.6864      -42.6861      7.7866e-05      3.67129e-14      0      8.94338e-15      
+     339      4      -33.2243      -33.2247      9.09108e-05      4.01812e-14      0      9.82981e-15      
+     340      4      -26.8627      -26.8627      2.75484e-07      7.48907e-13      0      1.68471e-13      
+     341      4      -25.5203      -25.5199      0.000100521      2.56398e-14      0      6.90203e-15      
+     342      4      3.46307      3.46307      1.26885e-07      5.62605e-13      0      1.22527e-13      
+     343      4      -31.5956      -31.5959      9.02157e-05      1.54315e-14      0      3.85166e-15      
+     344      4      -45.1005      -45.1005      5.4905e-06      1.0179e-13      0      2.15298e-14      
+     345      4      -46.0521      -46.0523      4.47069e-05      3.34916e-14      0      8.09442e-15      
+     346      4      -30.0018      -30.0012      0.000147325      2.50923e-14      0      6.09777e-15      
+     347      4      -22.8504      -22.8504      1.00467e-05      1.63584e-14      0      4.19807e-15      
+     348      4      -9.16469      -9.16469      2.94743e-07      9.56493e-13      0      1.98242e-13      
+     349      4      -24.1501      -24.1503      4.93636e-05      1.71289e-14      0      4.07989e-15      
+     350      4      -46.4362      -46.4268      0.00235663      1.38164e-14      0      3.40453e-15      
+     351      4      -28.451      -28.4511      3.57504e-05      2.562e-14      0      5.60438e-15      
+     352      4      40.3416      40.3416      4.92027e-09      1.79817e-12      0      4.01667e-13      
+     353      4      19.6179      19.6179      4.08309e-08      1.88327e-12      0      3.98009e-13      
+     354      4      -26.954      -26.9544      8.53888e-05      1.89859e-14      0      4.89676e-15      
+     355      4      -46.3254      -46.3237      0.000424278      1.55189e-14      0      3.8954e-15      
+     356      4      -45.8277      -45.8289      0.000312225      1.69566e-14      0      3.59411e-15      
+     357      4      -38.1604      -38.1603      3.17888e-05      3.41502e-14      0      8.84055e-15      
+     358      4      -32.9197      -32.9197      2.45702e-08      2.18547e-13      0      5.37056e-14      
+     359      4      -41.2726      -41.2727      2.98359e-05      4.71371e-14      0      1.15662e-14      
+     360      4      -39.7534      -39.7533      8.88025e-06      4.21743e-14      0      1.00687e-14      
+     361      4      -37.5474      -37.5474      4.93772e-08      2.55925e-13      0      5.9467e-14      
+     362      4      -36.5254      -36.526      0.000126983      2.46327e-14      0      5.65691e-15      
+     363      4      -45.017      -45.0161      0.000232038      1.34627e-14      0      3.23354e-15      
diff --git a/examples/pod/training_errors.txt b/examples/pod/training_errors.txt
index b15e907136..f835246d8e 100644
--- a/examples/pod/training_errors.txt
+++ b/examples/pod/training_errors.txt
@@ -2,19 +2,19 @@
 ----------------------------------------------------------------------------------------
   File      | # configs | # atoms  | MAE energy | RMSE energy | MAE force | RMSE force |
 ----------------------------------------------------------------------------------------
-Displaced_A15.xyz     9        576       0.000214     0.000229     0.026459     0.033403  
-Displaced_BCC.xyz     9        486       0.000209     0.000287     0.053305     0.066888  
-Displaced_FCC.xyz     9        432       0.000152     0.000186     0.017604     0.022189  
-Elastic_BCC.xyz       100      200       0.000196     0.000243     0.000634     0.000877  
-Elastic_FCC.xyz       100      400       0.000216     0.000265     0.000394     0.000521  
-GSF_110.xyz           22       528       0.000172     0.000224     0.006132     0.009864  
-GSF_112.xyz           22       660       0.000157     0.000198     0.012122     0.019875  
-Liquid.xyz            3        300       0.000423     0.000471     0.145897     0.185382  
-Surface.xyz           7        236       0.000515     0.000959     0.006765     0.019565  
-Volume_A15.xyz        30       240       0.000034     0.000048     0.000000     0.000000  
-Volume_BCC.xyz        21       42        0.000318     0.001323     0.000000     0.000000  
-Volume_FCC.xyz        31       124       0.000132     0.000443     0.000000     0.000000  
+Displaced_A15.xyz     9        576       0.000172     0.000193     0.026607     0.033655  
+Displaced_BCC.xyz     9        486       0.000310     0.000393     0.055008     0.069094  
+Displaced_FCC.xyz     9        432       0.000129     0.000151     0.017964     0.022705  
+Elastic_BCC.xyz       100      200       0.000194     0.000243     0.000363     0.000501  
+Elastic_FCC.xyz       100      400       0.000220     0.000270     0.000240     0.000314  
+GSF_110.xyz           22       528       0.000140     0.000193     0.006529     0.010663  
+GSF_112.xyz           22       660       0.000139     0.000176     0.012133     0.019745  
+Liquid.xyz            3        300       0.000782     0.000832     0.152382     0.192213  
+Surface.xyz           7        236       0.000517     0.000980     0.006328     0.019669  
+Volume_A15.xyz        30       240       0.000039     0.000063     0.000000     0.000000  
+Volume_BCC.xyz        21       42        0.000313     0.001270     0.000000     0.000000  
+Volume_FCC.xyz        31       124       0.000149     0.000441     0.000000     0.000000  
 ----------------------------------------------------------------------------------------
-All files             363      4224      0.000194     0.000428     0.025009     0.057039  
+All files             363      4224      0.000197     0.000425     0.025722     0.058968  
 ----------------------------------------------------------------------------------------
 **************** End of Error Analysis for the Training Data Set ****************