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melt.py
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Created: Sat, Nov 9, 17:48

melt.py
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	from mpi4py import MPI
	from lammps import PyLammps

	L = PyLammps()
	L.file('in.melt')


	if MPI.COMM_WORLD.rank == 0:
	pe = L.eval("pe")
	print("Potential Energy:", pe)

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