1This directory contains libraries that can be linked to when building
2LAMMPS, if particular packages are included in the LAMMPS build.
3
4Most of these directories contain code for the library; some contain
5a Makefile.lammps file that points to where the library is installed
6elsewhere on your system.
7
8In either case, the library itself must be installed and/or built
9first, so that the appropriate library files exist for LAMMPS to link
10against.
11
12Each library directory contains a README with additional info about
13how to acquire and/or build the library.  This may require you to edit
14one of the provided Makefiles to make it suitable for your machine.
15
16The libraries in this directory are the following:
17
18atc           atomistic-to-continuum methods, ATC package
19                from Reese Jones, Jeremy Templeton, Jon Zimmerman (Sandia)
20awpmd         antisymmetrized wave packet molecular dynamics, AWPMD package
21                from Ilya Valuev (JIHT RAS)
22colvars       collective variable module (Metadynamics, ABF and more)
23                from Giacomo Fiorin and Jerome Henin (ICMS, Temple U)
24compress      hook to system lib for performing I/O compression, COMPRESS pkg
25                from Axel Kohlmeyer (Temple U)
26gpu           general GPU routines, GPU package
27                from Mike Brown (ORNL)
28h5md          ch5md library for output of MD data in HDF5 format
29                from Pierre de Buyl (KU Leuven)
30hdnnp         hooks to n2p2, neural network potential package, used by ML-HDNNP
31                from Andreas Singraber
32kim           hooks to the KIM library, used by KIM package
33                from Ryan Elliott and Ellad Tadmor (U Minn)
34kokkos        Kokkos package for GPU and many-core acceleration
35                from Kokkos development team (Sandia)
36linalg        set of BLAS and LAPACK routines needed by ATC package
37                from Axel Kohlmeyer (Temple U)
38message       client/server communication library via MPI, sockets, files
39                from Steve Plimpton (Sandia)
40molfile       hooks to VMD molfile plugins, used by the MOLFILE package
41                from Axel Kohlmeyer (Temple U) and the VMD development team
42mscg          hooks to the MSCG library, used by fix_mscg command
43                from Jacob Wagner and Greg Voth group (U Chicago)
44netcdf        hooks to a NetCDF library installed on your system
45                from Lars Pastewka (Karlsruhe Institute of Technology)
46plugin        settings to load styles into LAMMPS from plugins
47                from Axel Kohlmeyer (Temple U)
48poems         POEMS rigid-body integration package, POEMS package
49                from Rudranarayan Mukherjee (RPI)
50python        hooks to the system Python library, used by the PYTHON package
51                from the LAMMPS development team
52qmmm          quantum mechanics/molecular mechanics coupling interface
53                from Axel Kohlmeyer (Temple U)
54quip          interface to QUIP/libAtoms framework, ML-QUIP package
55                from Albert Bartok-Partay and Gabor Csanyi (U Cambridge)
56machdyn       hooks to Eigen library, used by MACHDYN package
57                from Georg Ganzenmueller (Ernst Mach Institute, Germany)
58voronoi       hooks to the Voro++ library, used by compute voronoi/atom command
59                from Daniel Schwen (LANL)
60vtk           hooks to the VTK library, used by dump custom/vtk command
61                from Richard Berger (JKU)
62