Name		Name	Last commit message	Last commit date
README.md		README.md
auto_params.py		auto_params.py
check_params.py		check_params.py
ffield_mod.py		ffield_mod.py
lammps_run.py		lammps_run.py
params		params
plot1.png		plot1.png
plot2.png		plot2.png
plot3.png		plot3.png
plot4.png		plot4.png
plot5.png		plot5.png
train_mod.py		train_mod.py

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ReaxFF-Optimization

ReaxFF training code to optimize reaxff force field (via LAMMPS)

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Training code used to optimize reaxff force field (via LAMMPS)

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