lammps

Files

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)