This package implements the "fix plumed" command, which can be used
in a LAMMPS input script.

The fix allows enhanced sampling methods such as umbrella sampling and
metadynamics to be used.  Furthermore, PLUMED can be used to perform a
wide range of analyses on trajectories on the fly as they are generated.

The package uses the "PLUMED" library, whose source code is not included
in the LAMMPS source code distribution.  The files in the PLUMED package
folder implement an interface between LAMMPS and PLUMED, and are
written and maintained by Gareth Tribello (gareth.tribello@gmail.com).

PLUMED must instead be downloaded and compiled separately to LAMMPS.
This download and build step of compiling of PLUMED can be done before
or during the building of LAMMPS.  For maximum utility and flexibility
we strongly recommend to compile and install PLUMED before.  When PLUMED
is downloaded and compiled automatically during the LAMMPS build, some
of PLUMED's features and tools are not available.

PLUMED currently only supports building LAMMPS with the CMake build system.

More info about the PLUMED library can be found at:

www.plumed.org

and in the reference articles:

PLUMED2: New feathers for an old bird
G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi,
Comp. Phys. Comm 185, 604 (2014)
https://doi.org/10.1016/j.cpc.2013.09.018

PLUMED: a portable plugin for free energy calculations with molecular dynamics
M. Bonomi, D. Branduardi, G. Bussi, C. Camilloni, D. Provasi, P. Raiteri, D. Donadio, F. Marinelli, F. Pietrucci, R.A. Broglia and M. Parrinello
Comp. Phys. Comm. 180, 1961 (2009)
https://doi.org/10.1016/j.cpc.2009.05.011

Instructions explaining how to use PLUMED and LAMMPS in tandem can be
found on the PLUMED website, which also gives numerous example scripts
for PLUMED as well as citations to articles that dcoment the various
methods that are implemented within PLUMED.

There are also example scripts for using this package in the folder
examples/PACKAGES/plumed, as well as on the GitHub page for PLUMED.

Please contact Gareth Tribello (gareth.tribello@gmail.com) for questions
regarding this package.

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Version: 2025-08-04
