diff --git a/doc/src/pair_bpm_spring.rst b/doc/src/pair_bpm_spring.rst index 7dfa9bc12c..068efff577 100644 --- a/doc/src/pair_bpm_spring.rst +++ b/doc/src/pair_bpm_spring.rst @@ -8,7 +8,14 @@ Syntax .. code-block:: LAMMPS - pair_style bpm/spring + pair_style bpm/spring keyword value ... + +* optional keyword = *anharmonic* + + .. parsed-literal:: + + *anharmonic* value = *yes* or *no* + whether forces include the anharmonic term Examples """""""" @@ -17,7 +24,8 @@ Examples pair_style bpm/spring pair_coeff * * 1.0 1.0 1.0 - pair_coeff 1 1 1.0 1.0 1.0 + pair_style bpm/spring anharmonic yes + pair_coeff 1 1 1.0 1.0 1.0 50.0 Description """"""""""" @@ -28,12 +36,16 @@ Style *bpm/spring* computes pairwise forces with the formula .. math:: - F = k (r - r_c) + F = k (r - r_c) + k_a (r - r_c)^3 -where :math:`k` is a stiffness and :math:`r_c` is the cutoff length. -An additional damping force is also applied to interacting -particles. The force is proportional to the difference in the -normal velocity of particles +where :math:`k` is a stiffness, :math:`r_c` is the cutoff +length, and :math:`k_a` is an optional anharmonic cubic prefactor +that can be enabled using the *anharmonic* keyword. The anharmonic +term may be useful in scenarios that need to prevent large particle overlap. + +An additional damping force is also applied to interacting particles. +The force is proportional to the difference in the normal velocity of +particles .. math:: @@ -73,6 +85,12 @@ commands, or by mixing as described below: * :math:`r_c` (distance units) * :math:`\gamma` (force/velocity units) +.. versionadded:: TBD + +Additionally, if *anharmonic* is set to *yes*, a fourth coefficient +must be provided: + +* :math:`k_a` (force/distance\^3 units) ---------- @@ -117,4 +135,5 @@ Related commands Default """"""" -none +The option defaults are *anharmonic* = *no* +