Created PyLammps documentation
Based on material presented during MD Workshop at Temple University in August 2016.
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python/examples/pylammps/mpi4py/melt.py
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python/examples/pylammps/mpi4py/melt.py
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from mpi4py import MPI
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from lammps import PyLammps
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L = PyLammps()
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L.file('in.melt')
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if MPI.COMM_WORLD.rank == 0:
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pe = L.eval("pe")
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print("Potential Energy:", pe)
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