dim-smee

Fitting vdW parameters for transferable force fields to dimers using smee

Name		Name	Last commit message	Last commit date
Latest commit History 13 Commits
DES66x8-fittings/results		DES66x8-fittings/results
input_forcefields		input_forcefields
prep_des		prep_des
production_fits		production_fits
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
fit-dimer-contracted-h-lj.ipynb		fit-dimer-contracted-h-lj.ipynb
fit-dimer-lj.ipynb		fit-dimer-lj.ipynb
utils.py		utils.py

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