Loading doc/src/pair_body_nparticle.rst +17 −13 Original line number Diff line number Diff line .. index:: pair\_style body/nparticle .. index:: pair_style body/nparticle pair\_style body/nparticle command ================================== pair_style body/nparticle command ================================= Syntax """""" .. parsed-literal:: .. code-block:: LAMMPS pair_style body/nparticle cutoff Loading @@ -17,10 +17,10 @@ Examples """""""" .. parsed-literal:: .. code-block:: LAMMPS pair_style body/nparticle 3.0 pair_coeff \* \* 1.0 1.0 pair_coeff * * 1.0 1.0 pair_coeff 1 1 1.0 1.5 2.5 Description Loading Loading @@ -67,11 +67,15 @@ The interaction between two sub-particles, or a sub-particle and point particle, or between two point particles is computed as a Lennard-Jones interaction, using the standard formula .. image:: Eqs/pair_lj.jpg :align: center .. math:: where Rc is the cutoff. As explained above, an interaction involving one or two body sub-particles may be computed even for r > Rc. E & = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right] \qquad r < R_c \\ where :math:`R_c` is the cutoff. As explained above, an interaction involving one or two body sub-particles may be computed even for :math:`r > R_c`. For style *body*\ , the following coefficients must be defined for each pair of atoms types via the :doc:`pair_coeff <pair_coeff>` command as in Loading @@ -79,8 +83,8 @@ the examples above, or in the data file or restart files read by the :doc:`read_data <read_data>` or :doc:`read_restart <read_restart>` commands: * epsilon (energy units) * sigma (distance units) * :math:`\epsilon` (energy units) * :math:`\sigma` (distance units) * cutoff (distance units) The last coefficient is optional. If not specified, the global cutoff Loading @@ -94,7 +98,7 @@ is used. For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of this pair style can be mixed. The default mix value is *geometric*\ . See the "pair\_modify" command for default mix value is *geometric*\ . See the :doc:`pair_modify <pair_modify>` command for details. This pair style does not support the :doc:`pair_modify <pair_modify>` Loading Loading
doc/src/pair_body_nparticle.rst +17 −13 Original line number Diff line number Diff line .. index:: pair\_style body/nparticle .. index:: pair_style body/nparticle pair\_style body/nparticle command ================================== pair_style body/nparticle command ================================= Syntax """""" .. parsed-literal:: .. code-block:: LAMMPS pair_style body/nparticle cutoff Loading @@ -17,10 +17,10 @@ Examples """""""" .. parsed-literal:: .. code-block:: LAMMPS pair_style body/nparticle 3.0 pair_coeff \* \* 1.0 1.0 pair_coeff * * 1.0 1.0 pair_coeff 1 1 1.0 1.5 2.5 Description Loading Loading @@ -67,11 +67,15 @@ The interaction between two sub-particles, or a sub-particle and point particle, or between two point particles is computed as a Lennard-Jones interaction, using the standard formula .. image:: Eqs/pair_lj.jpg :align: center .. math:: where Rc is the cutoff. As explained above, an interaction involving one or two body sub-particles may be computed even for r > Rc. E & = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right] \qquad r < R_c \\ where :math:`R_c` is the cutoff. As explained above, an interaction involving one or two body sub-particles may be computed even for :math:`r > R_c`. For style *body*\ , the following coefficients must be defined for each pair of atoms types via the :doc:`pair_coeff <pair_coeff>` command as in Loading @@ -79,8 +83,8 @@ the examples above, or in the data file or restart files read by the :doc:`read_data <read_data>` or :doc:`read_restart <read_restart>` commands: * epsilon (energy units) * sigma (distance units) * :math:`\epsilon` (energy units) * :math:`\sigma` (distance units) * cutoff (distance units) The last coefficient is optional. If not specified, the global cutoff Loading @@ -94,7 +98,7 @@ is used. For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of this pair style can be mixed. The default mix value is *geometric*\ . See the "pair\_modify" command for default mix value is *geometric*\ . See the :doc:`pair_modify <pair_modify>` command for details. This pair style does not support the :doc:`pair_modify <pair_modify>` Loading
