lammps

Files

History

sjplimp 7c200a5fde git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4550 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2010-08-20 20:48:36 +00:00

data.adamantane

2010-08-20 20:48:36 +00:00

data.adamantane_ionized

2010-08-20 20:48:36 +00:00

in.adamantane_ionized.nve

2010-08-20 20:48:36 +00:00

in.adamantane_ionized.nvt

2010-08-20 20:48:36 +00:00

in.adamantane.min

2010-08-20 20:48:36 +00:00

in.adamantane.nvt

2010-08-20 20:48:36 +00:00

in.adamantane.spe

2010-08-20 20:48:36 +00:00

README

2010-08-20 20:48:36 +00:00

Valence electron ionization in adamantane, adamantane_ionized has one less electron.
The full adamantane molecule is also included.
Finite system.