GitHub - ehermes/LJFS: Scripts for fitting LJ parameters to QM energies & forces

Name		Name	Last commit message	Last commit date
Latest commit History 15 Commits
README		README
analyze.py		analyze.py
analyze2.f90		analyze2.f90
analyze2.pyf		analyze2.pyf
arc2gauss.py		arc2gauss.py
arc2inp.py		arc2inp.py
cluster.py		cluster.py
efcalc.py		efcalc.py
ljopt.py		ljopt.py
readarc.py		readarc.py
readgauss.py		readgauss.py
readkey.py		readkey.py