lammps

Files

stamoor 00db690e64 Updating USER-EFF examples to use compute property/atom

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12109 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-06-10 16:07:24 +00:00

C2H6

Updating USER-EFF examples to use compute property/atom

2014-06-10 16:07:24 +00:00

CH4

Updating USER-EFF examples to use compute property/atom

2014-06-10 16:07:24 +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)