diff --git a/doc/src/bond_hybrid.rst b/doc/src/bond_hybrid.rst index 34297c2ff9..6b8175858f 100644 --- a/doc/src/bond_hybrid.rst +++ b/doc/src/bond_hybrid.rst @@ -1,13 +1,13 @@ -.. index:: bond\_style hybrid +.. index:: bond_style hybrid -bond\_style hybrid command -========================== +bond_style hybrid command +========================= Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS bond_style hybrid style1 style2 ... @@ -17,11 +17,11 @@ Examples """""""" -.. parsed-literal:: +.. code-block: LAMMPS bond_style hybrid harmonic fene bond_coeff 1 harmonic 80.0 1.2 - bond_coeff 2\* fene 30.0 1.5 1.0 1.0 + bond_coeff 2* fene 30.0 1.5 1.0 1.0 Description """"""""""" @@ -31,19 +31,19 @@ simulation. A bond style is assigned to each bond type. For example, bonds in a polymer flow (of bond type 1) could be computed with a *fene* potential and bonds in the wall boundary (of bond type 2) could be computed with a *harmonic* potential. The assignment of bond type -to style is made via the :doc:`bond\_coeff ` command or in +to style is made via the :doc:`bond_coeff ` command or in the data file. In the bond\_coeff commands, the name of a bond style must be added after the bond type, with the remaining coefficients being those appropriate to that style. In the example above, the 2 bond\_coeff commands set bonds of bond type 1 to be computed with a *harmonic* -potential with coefficients 80.0, 1.2 for K, r0. All other bond types +potential with coefficients 80.0, 1.2 for :math:`K`, :math:`r_0`. All other bond types (2-N) are computed with a *fene* potential with coefficients 30.0, -1.5, 1.0, 1.0 for K, R0, epsilon, sigma. +1.5, 1.0, 1.0 for :math:`K`, :math:`R_0`, :math:`\epsilon`, :math:`\sigma`. If bond coefficients are specified in the data file read via the -:doc:`read\_data ` command, then the same rule applies. +:doc:`read_data ` command, then the same rule applies. E.g. "harmonic" or "fene" must be added after the bond type, for each line in the "Bond Coeffs" section, e.g. @@ -80,11 +80,6 @@ file, you need to re-specify bond\_coeff commands. Related commands """""""""""""""" -:doc:`bond\_coeff `, :doc:`delete\_bonds ` +:doc:`bond_coeff `, :doc:`delete_bonds ` **Default:** none - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/bond_hybrid.txt b/doc/txt/bond_hybrid.txt deleted file mode 100644 index 0996f72ce3..0000000000 --- a/doc/txt/bond_hybrid.txt +++ /dev/null @@ -1,74 +0,0 @@ -"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c - -:link(lws,http://lammps.sandia.gov) -:link(ld,Manual.html) -:link(lc,Commands_all.html) - -:line - -bond_style hybrid command :h3 - -[Syntax:] - -bond_style hybrid style1 style2 ... :pre - -style1,style2 = list of one or more bond styles :ul - -[Examples:] - -bond_style hybrid harmonic fene -bond_coeff 1 harmonic 80.0 1.2 -bond_coeff 2* fene 30.0 1.5 1.0 1.0 :pre - -[Description:] - -The {hybrid} style enables the use of multiple bond styles in one -simulation. A bond style is assigned to each bond type. For example, -bonds in a polymer flow (of bond type 1) could be computed with a -{fene} potential and bonds in the wall boundary (of bond type 2) could -be computed with a {harmonic} potential. The assignment of bond type -to style is made via the "bond_coeff"_bond_coeff.html command or in -the data file. - -In the bond_coeff commands, the name of a bond style must be added -after the bond type, with the remaining coefficients being those -appropriate to that style. In the example above, the 2 bond_coeff -commands set bonds of bond type 1 to be computed with a {harmonic} -potential with coefficients 80.0, 1.2 for K, r0. All other bond types -(2-N) are computed with a {fene} potential with coefficients 30.0, -1.5, 1.0, 1.0 for K, R0, epsilon, sigma. - -If bond coefficients are specified in the data file read via the -"read_data"_read_data.html command, then the same rule applies. -E.g. "harmonic" or "fene" must be added after the bond type, for each -line in the "Bond Coeffs" section, e.g. - -Bond Coeffs :pre - -1 harmonic 80.0 1.2 -2 fene 30.0 1.5 1.0 1.0 -... :pre - -A bond style of {none} with no additional coefficients can be used in -place of a bond style, either in a input script bond_coeff command or -in the data file, if you desire to turn off interactions for specific -bond types. - -:line - -[Restrictions:] - -This bond style can only be used if LAMMPS was built with the MOLECULE -package. See the "Build package"_Build_package.html doc page for more -info. - -Unlike other bond styles, the hybrid bond style does not store bond -coefficient info for individual sub-styles in a "binary restart -files"_restart.html. Thus when restarting a simulation from a restart -file, you need to re-specify bond_coeff commands. - -[Related commands:] - -"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html - -[Default:] none