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Commit 6aa75696 authored by Amulya's avatar Amulya Committed by GitHub
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Temper_NPT and example

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
parent b11fe2ed
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