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+The files in this directory are a user-contributed package for LAMMPS.
+
+The person who created these files is Andres Jaramillo-Botero at
+CalTech (ajaramil@wag.caltech.edu).  Contact him directly if you have
+questions.
+
+--------------------------------------
+
+Andres Jaramillo-Botero
+California Institute of Technology (Caltech)
+Chemistry and Chemical Engineering, 139-74
+1200 E. California Blvd., Pasadena, CA 91125
+Phone: (626) 395-3591
+e-mail: ajaramil@wag.caltech.edu
+
+Co-Authors: 
+Julius Su (jsu@wag.caltech.edu)
+William A. Goddard III (wag@wag.caltech.edu)
+
+PACKAGE DESCRIPTION:
+
+Contains a LAMMPS implementation of the electron Force Field (eFF)
+currently under development at Caltech, as described in
+A. Jaramillo-Botero, J. Su, Q. An, and W.A. Goddard III, JCC,
+2010. The eFF potential was first introduced by Su and Goddard, in
+2007.
+
+eFF can be viewed as an approximation to QM wave packet dynamics and
+Fermionic molecular dynamics, combining the ability of electronic
+structure methods to describe atomic structure, bonding, and chemistry
+in materials, and of plasma methods to describe nonequilibrium
+dynamics of large systems with a large number of highly excited
+electrons. We classify it as a mixed QM-classical approach rather than
+a conventional force field method, which introduces QM-based terms (a
+spin-dependent repulsion term to account for the Pauli exclusion
+principle and the electron wavefunction kinetic energy associated with
+the Heisenberg principle) that reduce, along with classical
+electrostatic terms between nuclei and electrons, to the sum of a set
+of effective pairwise potentials.  This makes eFF uniquely suited to
+simulate materials over a wide range of temperatures and pressures
+where electronically excited and ionized states of matter can occur
+and coexist.
+
+The necessary customizations to the LAMMPS core are in place to
+enable the correct handling of explicit electron properties during
+minimization and dynamics.
+
+INSTALLATION:
+
+via a normal LAMMPS package installation: make yes-user-eff
+
+OTHERS FILES INCLUDED:
+
+User examples are under examples/USER/eff
+eFF tools are under tools/eff
+
+ACKNOWLEDGMENTS:
+
+Thanks to Steve Plimpton and Aidan Thompson for their input on the
+LAMMPS architecture and for their help in customizing some of the
+required LAMMPS core modules.
+
+Version 01/2010: Special thanks to:
+- Hai Xiao (Caltech) for reviewing the fixed-core implementation and 
+  providing useful insights to improve it, and for his work on the effective core pseudopotential.
+- Vaclav Cvicek (Caltech) for thoroughly revising the units, for finding a bug in the 
+  fix_langevin_eff radial scaling factors, and for suggesting changes to clean-up the code.
+- Patrick Theofanis (Caltech) for providing an optimized set of parameters for the Si ECP 
+  (default) and for providing basic cases.
+- Qi An (Caltech) for providing feedback on usage, application cases, and testing.
+
+VERSION NOTES:
+01/2010: Added support for fixed-core and effective core pseudopotentials [ECP]
+(useful for C, Al, Si, O and other elements).  Cleaned up the code to make it
+easier to maintain, revised support for real units, upgraded post-processing
+and visualization tools, added support for "compute pair eff" to allow thermo
+prints with the different eFF energy components (eke, epauli, ecoul and errestrain), 
+fixed radial scaling factors in the eff langevin thermostat.
+
+