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Update docs: bond_hybrid
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Richard Berger
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.. index:: bond\_style hybrid
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.. index:: bond_style hybrid
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bond\_style hybrid command
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==========================
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bond_style hybrid command
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=========================
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Syntax
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""""""
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.. parsed-literal::
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.. code-block:: LAMMPS
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bond_style hybrid style1 style2 ...
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@ -17,11 +17,11 @@ Examples
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""""""""
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.. parsed-literal::
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.. code-block: LAMMPS
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bond_style hybrid harmonic fene
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bond_coeff 1 harmonic 80.0 1.2
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bond_coeff 2\* fene 30.0 1.5 1.0 1.0
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bond_coeff 2* fene 30.0 1.5 1.0 1.0
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Description
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"""""""""""
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@ -31,19 +31,19 @@ simulation. A bond style is assigned to each bond type. For example,
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bonds in a polymer flow (of bond type 1) could be computed with a
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*fene* potential and bonds in the wall boundary (of bond type 2) could
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be computed with a *harmonic* potential. The assignment of bond type
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to style is made via the :doc:`bond\_coeff <bond_coeff>` command or in
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to style is made via the :doc:`bond_coeff <bond_coeff>` command or in
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the data file.
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In the bond\_coeff commands, the name of a bond style must be added
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after the bond type, with the remaining coefficients being those
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appropriate to that style. In the example above, the 2 bond\_coeff
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commands set bonds of bond type 1 to be computed with a *harmonic*
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potential with coefficients 80.0, 1.2 for K, r0. All other bond types
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potential with coefficients 80.0, 1.2 for :math:`K`, :math:`r_0`. All other bond types
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(2-N) are computed with a *fene* potential with coefficients 30.0,
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1.5, 1.0, 1.0 for K, R0, epsilon, sigma.
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1.5, 1.0, 1.0 for :math:`K`, :math:`R_0`, :math:`\epsilon`, :math:`\sigma`.
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If bond coefficients are specified in the data file read via the
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:doc:`read\_data <read_data>` command, then the same rule applies.
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:doc:`read_data <read_data>` command, then the same rule applies.
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E.g. "harmonic" or "fene" must be added after the bond type, for each
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line in the "Bond Coeffs" section, e.g.
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@ -80,11 +80,6 @@ file, you need to re-specify bond\_coeff commands.
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Related commands
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""""""""""""""""
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:doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
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:doc:`bond_coeff <bond_coeff>`, :doc:`delete_bonds <delete_bonds>`
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**Default:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -1,74 +0,0 @@
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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bond_style hybrid command :h3
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[Syntax:]
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bond_style hybrid style1 style2 ... :pre
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style1,style2 = list of one or more bond styles :ul
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[Examples:]
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bond_style hybrid harmonic fene
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bond_coeff 1 harmonic 80.0 1.2
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bond_coeff 2* fene 30.0 1.5 1.0 1.0 :pre
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[Description:]
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The {hybrid} style enables the use of multiple bond styles in one
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simulation. A bond style is assigned to each bond type. For example,
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bonds in a polymer flow (of bond type 1) could be computed with a
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{fene} potential and bonds in the wall boundary (of bond type 2) could
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be computed with a {harmonic} potential. The assignment of bond type
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to style is made via the "bond_coeff"_bond_coeff.html command or in
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the data file.
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In the bond_coeff commands, the name of a bond style must be added
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after the bond type, with the remaining coefficients being those
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appropriate to that style. In the example above, the 2 bond_coeff
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commands set bonds of bond type 1 to be computed with a {harmonic}
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potential with coefficients 80.0, 1.2 for K, r0. All other bond types
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(2-N) are computed with a {fene} potential with coefficients 30.0,
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1.5, 1.0, 1.0 for K, R0, epsilon, sigma.
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If bond coefficients are specified in the data file read via the
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"read_data"_read_data.html command, then the same rule applies.
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E.g. "harmonic" or "fene" must be added after the bond type, for each
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line in the "Bond Coeffs" section, e.g.
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Bond Coeffs :pre
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1 harmonic 80.0 1.2
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2 fene 30.0 1.5 1.0 1.0
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... :pre
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A bond style of {none} with no additional coefficients can be used in
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place of a bond style, either in a input script bond_coeff command or
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in the data file, if you desire to turn off interactions for specific
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bond types.
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:line
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[Restrictions:]
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This bond style can only be used if LAMMPS was built with the MOLECULE
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package. See the "Build package"_Build_package.html doc page for more
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info.
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Unlike other bond styles, the hybrid bond style does not store bond
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coefficient info for individual sub-styles in a "binary restart
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files"_restart.html. Thus when restarting a simulation from a restart
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file, you need to re-specify bond_coeff commands.
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[Related commands:]
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"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
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[Default:] none
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