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lib
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lib
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This directory contains libraries that can be linked to when building
LAMMPS, if particular packages are included in the LAMMPS build.
These directories contain code for the library. The library itself must
be compiled and linked to LAMMPS to provide functionality used by the
corresponding packages. This process is included in the process of
compiling LAMMPS with CMake. Support for building these library and
using them with the traditional process is no longer available.
Each library directory contains a README with additional info.
The libraries in this directory are the following:
colvars collective variable module (Metadynamics, ABF and more)
from Giacomo Fiorin and Jerome Henin (ICMS, 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)
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)
molfile hooks to VMD molfile plugins, used by the MOLFILE package
from Axel Kohlmeyer (Temple U) and the VMD development team
qmmm quantum mechanics/molecular mechanics coupling interface
from Axel Kohlmeyer (Temple U)
