forked from lijiext/lammps
Added hexatic bond orientational order parameter
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14232 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -63,10 +63,10 @@ from 1 to N. A leading asterisk means all types from 1 to n
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(inclusive). A middle asterisk means all types from m to n
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(inclusive).
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The value of all order parameters will be 0.0+0.0i for atoms not in the
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The value of all order parameters will be zero for atoms not in the
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specified compute group. An order parameter for atoms that have no
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neighbors of the specified atom type within the cutoff distance will
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be 0.0+0.0i.
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be zero.
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The neighbor list needed to compute this quantity is constructed each
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time the calculation is performed (i.e. each time a snapshot of atoms
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@ -90,18 +90,19 @@ the neighbor list.
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If single {type1} keyword is specified (or if none are specified),
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this compute calculates a per-atom array with 2 columns, giving the
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real and imaginary parts of the order parameter, respectively.
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real and imaginary parts of {q}6, respectively.
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If multiple {typeN} keywords are specified, this compute calculates
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a per-atom array with 2*N columns, with each consecutive pair of
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columns giving the real and imaginary parts of one order parameter.
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columns giving the real and imaginary parts of {q}6.
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These values can be accessed by any command that uses
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per-atom values from a compute as input. See "Section_howto
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15"_Section_howto.html#howto_15 for an overview of LAMMPS output
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options.
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The per-atom array values will be floating point numbers, as
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explained above.
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The per-atom array values will be pairs of numbers representing the
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real and imaginary parts of {q}6, a complex number subject to the
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constraint |{q}6| <= 1.
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[Restrictions:] none
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