README

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, 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)
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)
hdnnp         hooks to n2p2, neural network potential package, used by ML-HDNNP
                from Andreas Singraber
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)
lepton        Lepton library for fast evaluation of mathematical
                expressions from a string. Imported from OpenMM.
linalg        set of BLAS and LAPACK routines needed by ATC package
                from Axel Kohlmeyer (Temple U)
mdi           hooks to the MDI library, used by MDI package
                from Taylor Barnes (MolSSI at Virginia Tech)
molfile       hooks to VMD molfile plugins, used by the MOLFILE package
                from Axel Kohlmeyer (Temple U) and the VMD development team
netcdf        hooks to a NetCDF library installed on your system
                from Lars Pastewka (Karlsruhe Institute of Technology)
plugin        settings to load styles into LAMMPS from plugins
                from Axel Kohlmeyer (Temple U)
poems         POEMS rigid-body integration package, POEMS package
                from Rudranarayan Mukherjee (RPI)
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, ML-QUIP package
                from Albert Bartok-Partay and Gabor Csanyi (U Cambridge)
machdyn       hooks to Eigen library, used by MACHDYN package
                from Georg Ganzenmueller (Ernst Mach Institute, Germany)
voronoi       hooks to the Voro++ library, used by compute voronoi/atom command
                from Daniel Schwen (LANL)
vtk           hooks to the VTK library, used by dump custom/vtk command
                from Richard Berger (JKU)