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lammps/examples/PACKAGES/qtb/README
2021-06-29 20:12:59 -04:00

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There are example scripts for using the QTB package.
See its src/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.