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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 lib*.a file
exists for LAMMPS to link against.
Each library directory contains a README with additional info about
how to 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 interface to link with OpenKIM library needed by KIM package
from Valeriu Smirichinski, www.openkim.org
linalg set of BLAS and LAPACK routines needed by USER-ATC package
from Axel Kohlmeyer (Temple U)
molfile interface to link with DL library needed by USER-MOLFILE 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)
reax ReaxFF potential, REAX package
from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
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