make PyLammps() constructor take the same arguments as lammps() and forward them as needed
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@ -387,9 +387,12 @@ class PyLammps(object):
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See examples/ipython for usage
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"""
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def __init__(self, lmp=lammps()):
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def __init__(self,name="",cmdargs=None,ptr=None,comm=None):
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if ptr:
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self.lmp = ptr
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else:
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self.lmp = lammps(name=name,cmdargs=cmdargs,ptr=None,comm=comm)
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print("LAMMPS output is captured by PyLammps wrapper")
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self.lmp = lmp
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@property
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def atoms(self):
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