forked from lijiext/lammps
58 lines
3.1 KiB
Plaintext
58 lines
3.1 KiB
Plaintext
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, 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)
|
|
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)
|
|
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
|
|
mscg hooks to the MSCG library, used by fix_mscg command
|
|
from Jacob Wagner and Greg Voth group (U Chicago)
|
|
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, USER-QUIP package
|
|
from Albert Bartok-Partay and Gabor Csanyi (U Cambridge)
|
|
reax ReaxFF potential, REAX package
|
|
from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
|
|
smd hooks to Eigen library, used by USER-SMD 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)
|