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Agilio Padua 25420fc030 Start update of fep examples and doc 2021-01-22 21:39:09 +01:00
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README Start update of fep examples and doc 2021-01-22 21:39:09 +01:00
bar.py Start update of fep examples and doc 2021-01-22 21:39:09 +01:00
fdti.py Start update of fep examples and doc 2021-01-22 21:39:09 +01:00
fep.py Start update of fep examples and doc 2021-01-22 21:39:09 +01:00
nti.py Start update of fep examples and doc 2021-01-22 21:39:09 +01:00

README 

These are utility scripts provided as part of the USER-FEP package for
free energy perturbation simulations with soft-core pair potentials in
LAMMPS.

The person who created these tools is Agilio Padua at ENS de Lyon
(agilio.padua at ens-lyon.fr)
Contact him directly if you have questions.