lammps/examples/USER/eff/fixed-core
stamoor 62c95d86a8 Fixing broken USER-EFF example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12560 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-26 14:57:08 +00:00
..
C2H6 Fixing broken USER-EFF example 2014-09-26 14:57:08 +00:00
CH4 Fixing more broken USER-EFF examples 2014-06-10 18:17:25 +00:00
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:35:22 +00:00

README

Examples of using the fixed-core option in pEFF.
This fixes the two s electrons in an atom to be nuclei-centered
and with fixed radii

Structure files provided by Hai Xiao (Caltech)