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  1. May 18, 2017
    • Axel Kohlmeyer's avatar
      a bunch refactoring changes in the python pair style and the examples · 67962b15
      Axel Kohlmeyer authored
      - make all python potential classes derived from LAMMPSPairPotential
        which contains shared functionality. We currently don't check
        for supported atom types. may want to add that again later.
      - keep track of skipped atom types in the C++ code.
      - add test against units setting. must set self.units='...' in constructor
      - make compute_force method consistent with Pair::single() in LAMMPS and return force/r instead of force.
      - rename potentials.py to py_pot.py
      - update test runs. some small tweaks.
      67962b15
  2. May 17, 2017
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