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