diff --git a/doc/src/Howto_bpm.rst b/doc/src/Howto_bpm.rst index 380c114866..0ca4e85fbb 100644 --- a/doc/src/Howto_bpm.rst +++ b/doc/src/Howto_bpm.rst @@ -79,9 +79,9 @@ As bonds can be broken between neighbor list builds, the bond styles. There are two possible settings which determine how pair interactions work between bonded particles. First, one can overlay pair forces with bond forces such that all bonded particles also -feel pair interactions. This can be accomplished by using the *overlay/pair* -keyword present in all bpm bond styles and by using the following special -bond settings +feel pair interactions. This can be accomplished by setting the *overlay/pair* +keyword present in all bpm bond styles to *yes* and requires using the +following special bond settings .. code-block:: LAMMPS diff --git a/src/BPM/bond_bpm.cpp b/src/BPM/bond_bpm.cpp index 023988b64d..3ebeed3f1d 100644 --- a/src/BPM/bond_bpm.cpp +++ b/src/BPM/bond_bpm.cpp @@ -94,10 +94,10 @@ void BondBPM::init_style() } if (overlay_flag) { - if (force->special_lj[1] != 1.0) + if (force->special_lj[1] != 1.0 || force->special_lj[2] != 1.0 || force->special_lj[3] != 1.0 || + force->special_coul[1] != 1.0 || force->special_coul[2] != 1.0 || force->special_coul[3] != 1.0) error->all(FLERR, - "With overlay/pair yes, BPM bond styles require special_bonds weight of 1.0 for " - "first neighbors"); + "With overlay/pair yes, BPM bond styles require a value of 1.0 for all special_bonds weights"); if (id_fix_update) { modify->delete_fix(id_fix_update); delete[] id_fix_update;