Loading examples/USER/misc/pafi/README +3 −1 Original line number Diff line number Diff line Loading @@ -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: Loading Loading
examples/USER/misc/pafi/README +3 −1 Original line number Diff line number Diff line Loading @@ -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: Loading
