lammps

Files

stamoor 532a4e66fb Fixed broken examples by adding NULL after stess/atom commands

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11786 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-04-14 21:08:05 +00:00

C2H6

Fixed broken examples by adding NULL after stess/atom commands

2014-04-14 21:08:05 +00:00

CH4

Fixed broken examples by adding NULL after stess/atom commands

2014-04-14 21:08:05 +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)