forked from lijiext/lammps
6864dfa2d1 | ||
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.. | ||
alpha_quartz_qbmsst | ||
alpha_quartz_qtb | ||
methane_qbmsst | ||
methane_qtb | ||
README |
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.