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Merge pull request #3810 from jrgissing/create_atoms-overlap_w_mol

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Create atoms: overlap keyword for atomic molecule
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Stan Moore
2024-05-13 11:08:34 -06:00
committed by GitHub
parent fd1aa7356d 46b4c09083
commit 00d8c6623d
3 changed files with 72 additions and 32 deletions
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doc/src/create_atoms.rst
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@ -468,12 +468,13 @@ to.
The *overlap* keyword only applies to the *random* style. It prevents
newly created particles from being created closer than the specified
*Doverlap* distance from any other particle. When the particles being
created are molecules, the radius of the molecule (from its geometric
center) is added to *Doverlap*. If particles have finite size (see
:doc:`atom_style sphere <atom_style>` for example) *Doverlap* should
be specified large enough to include the particle size in the
non-overlapping criterion.
*Doverlap* distance from any other particle. If particles have finite
size (see :doc:`atom_style sphere <atom_style>` for example) *Doverlap*
should be specified large enough to include the particle size in the
non-overlapping criterion. If molecules are being randomly inserted, then
an insertion is only accepted if each particle in the molecule meets the
overlap criterion with respect to other particles (not including particles
in the molecule itself).
.. note::