more changes and some debugging on a test script
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@ -345,10 +345,37 @@ new particles into a dense system using the *overlap* keyword),
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setting the *maxtry* keyword to a large value may result in this
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command running for a long time.
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Here is an example for the *random* style using these commands
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.. code-block:: LAMMPS
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units lj
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dimension 2
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region box block 0 50 0 50 -0.5 0.5
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create_box 1 box
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create_atoms 1 random 2000 13487 NULL overlap 1.0 maxtry 50
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pair_style lj/cut 2.5
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pair_coeff 1 1 1.0 1.0 2.5
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to produce a system as shown in the image with 1520 particles (out of
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2000 requested) that are moderately dense and which have no overlaps
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sufficient to prevent the LJ pair_style from running properly (because
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the overlap criterion = 1.0). The create_atoms command ran for 0.3 s
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on a single CPU core.
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.. image:: img/overlap.png
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:scale: 50%
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:align: center
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.. raw:: html
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Click on the image for a larger version.
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The *units* keyword determines the meaning of the distance units used
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to specify the coordinates of the one particle created by the *single*
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style. A *box* value selects standard distance units as defined by
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the :doc:`units <units>` command, e.g. Angstroms for units = real or
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style, or the overlap distance *Doverlap* by the *overlap* keyword. A
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*box* value selects standard distance units as defined by the
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:doc:`units <units>` command, e.g. Angstroms for units = real or
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metal. A *lattice* value means the distance units are in lattice
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spacings.
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BIN
doc/src/img/overlap.png
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BIN
doc/src/img/overlap.png
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