diff --git a/examples/USER/misc/pafi/README b/examples/USER/misc/pafi/README index f1a2b409f4..525dcc1e9a 100644 --- a/examples/USER/misc/pafi/README +++ b/examples/USER/misc/pafi/README @@ -15,7 +15,9 @@ Unsupervised calculation of free energy barriers in large crystalline systems Physical Review Letters 276, 1 2018 -Also see https://github.com/tomswinburne/pafi/ for PAFI code which uses the USER-PAFI package when loading LAMMPS as a C++ library +Also see https://github.com/tomswinburne/pafi/ for the PAFI code which distributes +multiple LAMMPS workers in parallel to compute and collate fix pafi averages, +allowing the calculation of free energy barriers and minimum free energy paths. To compile: