diff --git a/doc/src/pair_dipole.rst b/doc/src/pair_dipole.rst index 50e1a1b023..eb6b2c4859 100644 --- a/doc/src/pair_dipole.rst +++ b/doc/src/pair_dipole.rst @@ -58,22 +58,26 @@ Examples .. code-block:: LAMMPS - pair_style lj/cut/dipole/cut 10.0 + pair_style lj/cut/dipole/cut 2.5 5.0 pair_coeff * * 1.0 1.0 - pair_coeff 2 3 1.0 1.0 2.5 4.0 + pair_coeff 2 3 0.8 1.0 2.5 4.0 pair_style lj/sf/dipole/sf 9.0 pair_coeff * * 1.0 1.0 pair_coeff 2 3 1.0 1.0 2.5 4.0 scale 0.5 - pair_coeff 2 3 1.0 1.0 2.5 4.0 + pair_coeff 2 3 0.8 1.0 2.5 4.0 - pair_style lj/cut/dipole/long 10.0 + pair_style lj/cut/dipole/long 2.5 3.5 pair_coeff * * 1.0 1.0 - pair_coeff 2 3 1.0 1.0 2.5 4.0 + pair_coeff 2 3 0.8 1.0 3.0 - pair_style lj/long/dipole/long long long 3.5 10.0 + pair_style lj/long/dipole/long long long 3.5 pair_coeff * * 1.0 1.0 - pair_coeff 2 3 1.0 1.0 2.5 4.0 + pair_coeff 2 3 0.8 1.0 + + pair_style lj/long/dipole/long cut long 2.5 3.5 + pair_coeff * * 1.0 1.0 + pair_coeff 2 3 0.8 1.0 3.0 Description """"""""""" @@ -254,23 +258,28 @@ long-range LJ interactions, the :doc:`kspace_style ewald/disp ---------- -The following coefficients must be defined for each pair of atoms -types via the :doc:`pair_coeff ` command as in the examples -above, or in the data file or restart files read by the -:doc:`read_data ` or :doc:`read_restart ` -commands, or by mixing as described below: +The following coefficients must be defined for each pair of atoms types +via the :doc:`pair_coeff ` command as in the examples above, +or in the data file or restart files read by the :doc:`read_data +` or :doc:`read_restart ` commands, or by +mixing as described below: * :math:`\epsilon` (energy units) * :math:`\sigma` (distance units) * cutoff1 (distance units) * cutoff2 (distance units) -The latter 2 coefficients are optional. If not specified, the global -LJ and Coulombic cutoffs specified in the pair_style command are used. -If only one cutoff is specified, it is used as the cutoff for both LJ -and Coulombic interactions for this type pair. If both coefficients -are specified, they are used as the LJ and Coulombic cutoffs for this -type pair. +The latter 2 coefficients are optional. If not specified, the global LJ +and Coulombic cutoffs specified in the pair_style command are used. If +only one cutoff is specified, it is used as the cutoff for both LJ and +Coulombic interactions for this type pair. If both coefficients are +specified, they are used as the LJ and Coulombic cutoffs for this type +pair. When using a long-rang Coulomb solver, only a global Coulomb +cutoff may be used and only the LJ cutoff may be changed with the +:doc:`pair_coeff ` command. When using the +*lj/long/dipole/long* pair style with *long* *long* setting, only a +single global cutoff may be provided and no cutoff for the +:doc:`pair_coeff ` command. ----------