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    • Amulya's avatar
      Temper_NPT and example · 6aa75696
      Amulya authored
      New function that allows for parallel tempering (replica exchange) in MD in LAMMPS in the isothermal-isobaric ensemble (NPT)
      Similar to temper which works in the canonical (NVT) ensemble.
      An example is included that uses temper_npt
      6aa75696
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