This directory contains files required to use the ML-PACE package, which
provides the pace pair style, an efficient implementation of the Atomic
Cluster Expansion potential (ACE). ACE is a methodology for deriving a
highly accurate classical potential fit to a large archive of quantum
mechanical (DFT) data. This package was written by Yury Lysogorskiy and
others at ICAMS, the Interdisciplinary Centre for Advanced Materials
Simulation, Ruhr University Bochum, Germany, http://www.icams.de
You can type "make lib-pace" from the src directory to see help on how
to download and build this library via make commands, or you can do the
same thing by typing "python Install.py" from within this directory.
More information about the ML-PACE implementation of ACE is available
here: https://github.com/ICAMS/lammps-user-pace
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