Loading doc/src/bond_special.rst 0 → 100644 +59 −0 Original line number Diff line number Diff line .. index:: bond_style special bond_style special command ================================= Syntax """""" .. code-block:: LAMMPS bond_style special Examples """""""" .. code-block:: LAMMPS bond_style special bond_coeff 0.5 0.5 Description """"""""""" The *special* bond style can be used to impose weighted Lennard Jones and/or Coloumbic interactions on any two particles in the system. It can be used for cases that cannot be handled in :doc:`special_bonds <special_bonds>`, such as 1-5 interactions or hyrbrid simulations that require the use of different weighting factors for different molecules. The following coefficients must be defined for each bond type via the :doc:`bond_coeff <bond_coeff>` command as in the example above, or in the data file or restart files read by the :doc:`read_data <read_data>` or :doc:`read_restart <read_restart>` commands: * `w_lj` weight (0.0 to 1.0) on pairwise Lennard-Jones interactions * `w_coul` weight (0.0 to 1.0) on pairwise Coulombic interactions This command will typically be used in conjunction with ---------- Restrictions """""""""""" This bond style can only be used if LAMMPS was built with the USER-MISC package. See the :doc:`Build package <Build_package>` doc page for more info. Related commands """""""""""""""" :doc:`bond_coeff <bond_coeff>`, :doc:`special_bonds <special_bonds>`, **Default:** none Loading
doc/src/bond_special.rst 0 → 100644 +59 −0 Original line number Diff line number Diff line .. index:: bond_style special bond_style special command ================================= Syntax """""" .. code-block:: LAMMPS bond_style special Examples """""""" .. code-block:: LAMMPS bond_style special bond_coeff 0.5 0.5 Description """"""""""" The *special* bond style can be used to impose weighted Lennard Jones and/or Coloumbic interactions on any two particles in the system. It can be used for cases that cannot be handled in :doc:`special_bonds <special_bonds>`, such as 1-5 interactions or hyrbrid simulations that require the use of different weighting factors for different molecules. The following coefficients must be defined for each bond type via the :doc:`bond_coeff <bond_coeff>` command as in the example above, or in the data file or restart files read by the :doc:`read_data <read_data>` or :doc:`read_restart <read_restart>` commands: * `w_lj` weight (0.0 to 1.0) on pairwise Lennard-Jones interactions * `w_coul` weight (0.0 to 1.0) on pairwise Coulombic interactions This command will typically be used in conjunction with ---------- Restrictions """""""""""" This bond style can only be used if LAMMPS was built with the USER-MISC package. See the :doc:`Build package <Build_package>` doc page for more info. Related commands """""""""""""""" :doc:`bond_coeff <bond_coeff>`, :doc:`special_bonds <special_bonds>`, **Default:** none
