diff --git a/doc/src/pair_quip.txt b/doc/src/pair_quip.txt index 12dcd244e254eabb66569b5e5be2d59166b38912..fbc87d61ac549fb5afc27c7b09ce3f084ba945d1 100644 --- a/doc/src/pair_quip.txt +++ b/doc/src/pair_quip.txt @@ -80,6 +80,14 @@ LAMMPS"_Section_start.html#start_3 section for more info. QUIP potentials are parametrized in electron-volts and Angstroms and therefore should be used with LAMMPS metal "units"_units.html. +QUIP potentials are generally not designed to work with the scaling +factors set by the "special_bonds"_special_bonds.html command. The +recommended setting in molecular systems is to include all +interactions, i.e. to use {special_bonds lj 1.0 1.0 1.0}. The only +exception to this rule is if you know that your QUIP potential needs +to exclude bonded, 1-3, or 1-4 interactions and does not already do +this exclusion within QUIP. + [Related commands:] "pair_coeff"_pair_coeff.html