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lammps/examples/USER/qtb
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Axel Kohlmeyer 73401d02c0
convert a couple of inputs from using pair style reax to reax/c 		2019-02-27 16:08:41 -05:00
..
alpha_quartz_qbmsst git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13682 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-22 15:52:49 +00:00
alpha_quartz_qtb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13682 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-22 15:52:49 +00:00
methane_qbmsst convert a couple of inputs from using pair style reax to reax/c 2019-02-27 16:08:41 -05:00
methane_qtb convert a couple of inputs from using pair style reax to reax/c 2019-02-27 16:08:41 -05:00
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13682 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-22 15:52:49 +00:00

README 

There are example scripts for using the USER-QTB package.
See its src/USER-QTB/README file for more info on
quantum nuclear effects and when they are important
to include in your model.

Authors Information and Contact

The person who created this package and these examples is Yuan Shen
(sy0302 at stanford.edu) at Stanford University.  Contact him directly
if you have questions.