Files
lammps/src/USER-CD-EAM

The files in this directory are a user-contributed package for LAMMPS.

The person who created these files is Alexander Stukowski of the
Technical University of Darmstadt, Germany Department of Materials
Science (stukowski at mm.tu-darmstadt.de).  Contact him directly if
you have questions.

This package implements the concentration-dependent EAM (CD-EAM)
potential for multi-component systems.

Specifically, the pair style implements an improved version of the
original CD-EAM formalism.  The new version (a.k.a. one-site model;
cdeamVersion==1) has been published in
 
   A. Stukowski, B. Sadigh, P. Erhart and A. Caro
   Efficient implementation of the concentration-dependent embedded
   atom method for molecular-dynamics and Monte-Carlo simulations
   Model. Simul. Mater. Sci. Eng., 2009, 075005

This new formulation is more efficient for MD and Monte-Carlo
simulations and is the default.
 
The original formulation (a.k.a. two-site model; cdeamVersion==2) is
also implemented and has been published in

   A. Caro, D. A. Crowson and M. Caro
   Classical Many-Body Potential for Concentrated Alloys and the
   Inversion of Order in Iron-Chromium Alloys
   Phys. Rev. Lett., APS, 2005, 95, 075702