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Added hexatic bond orientational order parameter 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14238 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2015-11-05 16:41:14 +00:00
parent fa9af07140
commit f71eee1d4d
1 changed files with 7 additions and 5 deletions
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12
doc/compute_hexorder_atom.txt
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@ -44,11 +44,13 @@ Neighbor atoms not in the group
are included in the order parameter of atoms in the group. are included in the order parameter of atoms in the group.
The optional keyword {n} sets the degree of the order parameter. The optional keyword {n} sets the degree of the order parameter.
The default value is 6. If the neighbors of the central atom The default value is 6. For a perfect hexagonal lattice,
lie on a hexagonal lattice, then |{q}6| = 1. {q}6 = exp(6 i phi) for all atoms, where the constant 0 < phi < pi/3
The complex phase of {q}6 depends on the orientation of the depends only on the orientation of the lattice relative to the x axis.
lattice relative to the {x} axis. For a liquid in which the In an isotropic liquid, local neighborhoods may still exhibit
atomic neighborhood lacks orientational symmetry, |{q}6| << 1. weak hexagonal symmetry, but because the orientational correlation
decays quickly with distance, the value of phi will be different for
different atoms, and |<{q}6>| << 1.
The value of {qn} will be zero for atoms not in the The value of {qn} will be zero for atoms not in the
specified compute group. If the atom has less than {n} neighbors (within specified compute group. If the atom has less than {n} neighbors (within