2006-09-28 03:51:08 +08:00
|
|
|
This directory contains libraries that can be linked with when
|
2011-08-19 01:32:05 +08:00
|
|
|
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.
|
2006-09-28 03:51:08 +08:00
|
|
|
|
2011-08-19 01:32:05 +08:00
|
|
|
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.
|
2006-09-28 03:51:08 +08:00
|
|
|
|
2009-09-25 00:33:23 +08:00
|
|
|
The libraries included in the LAMMPS distribution are the following:
|
2006-09-28 03:51:08 +08:00
|
|
|
|
2011-08-19 01:32:05 +08:00
|
|
|
atc atomistic-to-continuum methods, USER-ATC package
|
2009-09-25 00:33:23 +08:00
|
|
|
from Reese Jones, Jeremy Templeton, Jon Zimmerman (Sandia)
|
2011-08-19 01:32:05 +08:00
|
|
|
awpmd antisymmetrized wave packet molecular dynamics, AWPMD package
|
2011-06-14 06:22:33 +08:00
|
|
|
from Ilya Valuev (JIHT RAS)
|
2012-06-02 01:21:22 +08:00
|
|
|
colvars collective variable module (Metadynamics, ABF and more)
|
|
|
|
|
from Giacomo Fiorin and Jerome Henin (ICMS, Temple U)
|
2012-01-07 01:42:50 +08:00
|
|
|
cuda NVIDIA GPU routines, USER-CUDA package
|
2011-08-19 01:32:05 +08:00
|
|
|
from Christian Trott (U Tech Ilmenau)
|
2012-06-14 00:40:16 +08:00
|
|
|
gpu general GPU routines, GPU package
|
2011-08-19 01:32:05 +08:00
|
|
|
from Mike Brown (ORNL)
|
2014-05-30 06:52:05 +08:00
|
|
|
kokkos Kokkos package for GPU and many-core acceleration
|
|
|
|
|
from Kokkos development team (Sandia)
|
2012-01-07 01:42:50 +08:00
|
|
|
linalg set of BLAS and LAPACK routines needed by USER-ATC package
|
|
|
|
|
from Axel Kohlmeyer (Temple U)
|
2011-08-19 01:32:05 +08:00
|
|
|
poems POEMS rigid-body integration package, POEMS package
|
|
|
|
|
from Rudranarayan Mukherjee (RPI)
|
|
|
|
|
meam modified embedded atom method (MEAM) potential, MEAM package
|
2009-09-25 00:33:23 +08:00
|
|
|
from Greg Wagner (Sandia)
|
2014-04-05 04:08:01 +08:00
|
|
|
qmmm quantum mechanics/molecular mechanics coupling interface
|
|
|
|
|
from Axel Kohlmeyer (Temple U)
|
2011-08-19 01:32:05 +08:00
|
|
|
reax ReaxFF potential, REAX package
|
2009-09-25 00:33:23 +08:00
|
|
|
from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
|
