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This directory contains libraries that can be linked with when
building LAMMPS, if particular packages are included in a LAMMPS
build. The library itself must be built first, so that a library file
exists 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 included in the LAMMPS distribution 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)
cuda NVIDIA GPU routines, USER-CUDA package
from Christian Trott (U Tech Ilmenau)
gpu general GPU routines, GPU package
from Mike Brown (ORNL)
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
qmmm quantum mechanics/molecular mechanics coupling interface
from Axel Kohlmeyer (Temple U)
reax ReaxFF potential, REAX package
from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
voronoi hooks to the Voro++ library, used by compute voronoi/atom command
from Daniel Schwen (LANL)
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