Loading doc/src/bond_hybrid.rst +11 −16 Original line number Diff line number Diff line .. 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 ... Loading @@ -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 """"""""""" Loading @@ -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 <bond_coeff>` command or in to style is made via the :doc:`bond_coeff <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 <read_data>` command, then the same rule applies. :doc:`read_data <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. Loading Loading @@ -80,11 +80,6 @@ file, you need to re-specify bond\_coeff commands. Related commands """""""""""""""" :doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>` :doc:`bond_coeff <bond_coeff>`, :doc:`delete_bonds <delete_bonds>` **Default:** none .. _lws: http://lammps.sandia.gov .. _ld: Manual.html .. _lc: Commands_all.html doc/txt/bond_hybrid.txtdeleted 100644 → 0 +0 −74 Original line number Diff line number Diff line "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 Loading
doc/src/bond_hybrid.rst +11 −16 Original line number Diff line number Diff line .. 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 ... Loading @@ -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 """"""""""" Loading @@ -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 <bond_coeff>` command or in to style is made via the :doc:`bond_coeff <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 <read_data>` command, then the same rule applies. :doc:`read_data <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. Loading Loading @@ -80,11 +80,6 @@ file, you need to re-specify bond\_coeff commands. Related commands """""""""""""""" :doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>` :doc:`bond_coeff <bond_coeff>`, :doc:`delete_bonds <delete_bonds>` **Default:** none .. _lws: http://lammps.sandia.gov .. _ld: Manual.html .. _lc: Commands_all.html
doc/txt/bond_hybrid.txtdeleted 100644 → 0 +0 −74 Original line number Diff line number Diff line "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
