lammps/lib

This directory contains libraries that can be linked to when building
LAMMPS, if particular packages are included in the LAMMPS build.

Most of these directories contain code for the library; some contain
a Makefile.lammps file that points to where the library is installed
elsewhere on your system.  

In either case, the library itself must be installed and/or built
first, so that the appropriate library files exist for LAMMPS to link
against.

Each library directory contains a README with additional info about
how to acquire and/or build the library.  This may require you to edit
one of the provided Makefiles to make it suitable for your machine.

The libraries in this directory are the following:

atc           atomistic-to-continuum methods, USER-ATC package
                from Reese Jones, Jeremy Templeton, Jon Zimmerman (Sandia)
awpmd         antisymmetrized wave packet molecular dynamics, AWPMD package
                from Ilya Valuev (JIHT RAS)
colvars	      collective variable module (Metadynamics, ABF and more)
                from Giacomo Fiorin and Jerome Henin (ICMS, Temple U)
compress      hook to system lib for performing I/O compression, COMPRESS pkg
	        from Axel Kohlmeyer (Temple U)
cuda	      NVIDIA GPU routines, USER-CUDA package
                from Christian Trott (U Tech Ilmenau)
gpu	      general GPU routines, GPU package
	        from Mike Brown (ORNL)
h5md          ch5md library for output of MD data in HDF5 format
                from Pierre de Buyl (KU Leuven)
kim           hooks to the KIM library, used by KIM package
                from Ryan Elliott and Ellad Tadmor (U Minn)
kokkos        Kokkos package for GPU and many-core acceleration
                from Kokkos development team (Sandia)
linalg        set of BLAS and LAPACK routines needed by USER-ATC package
	        from Axel Kohlmeyer (Temple U)
poems	      POEMS rigid-body integration package, POEMS package
                from Rudranarayan Mukherjee (RPI)
meam	      modified embedded atom method (MEAM) potential, MEAM package
                from Greg Wagner (Sandia)
molfile       hooks to VMD molfile plugins, used by the USER-MOLFILE package
                from Axel Kohlmeyer (Temple U) and the VMD development team
python        hooks to the system Python library, used by the PYTHON package
                from the LAMMPS development team
qmmm	      quantum mechanics/molecular mechanics coupling interface
                from Axel Kohlmeyer (Temple U)
quip          interface to QUIP/libAtoms framework, USER-QUIP package
                from Albert Bartok-Partay and Gabor Csanyi (U Cambridge)
reax          ReaxFF potential, REAX package
	        from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
smd           hooks to Eigen library, used by USER-SMD package
                from Georg Ganzenmueller (Ernst Mach Institute, Germany)
voronoi       hooks to the Voro++ library, used by compute voronoi/atom command
	        from Daniel Schwen (LANL)