diff --git a/doc/src/pair_list.rst b/doc/src/pair_list.rst index 322da79369..76b31623ad 100644 --- a/doc/src/pair_list.rst +++ b/doc/src/pair_list.rst @@ -120,7 +120,7 @@ and the coefficients: * :math:`b_2` (distance units) * :math:`r_c` (distance units) -Note that the cutoff :math:`r_c` should always be specified to ensure zero energy and smooth force at cutoff. +Note that the global cutoff specified by *pair_style list* command is ignored, unless :math:`r_c` is not specified. In this case, :math:`r_c` equals the sqare root of the globle cutoff. ---------- diff --git a/src/MISC/pair_list.cpp b/src/MISC/pair_list.cpp index 1eff74564d..ad3ef44717 100644 --- a/src/MISC/pair_list.cpp +++ b/src/MISC/pair_list.cpp @@ -276,7 +276,6 @@ void PairList::settings(int narg, char **arg) oneparam.param.quartic.k = values.next_double(); oneparam.param.quartic.b1 = values.next_double(); oneparam.param.quartic.b2 = values.next_double(); - oneparam.param.quartic.rc = values.next_double(); ++nquartic; break; @@ -365,8 +364,6 @@ void PairList::init_style() } else if (par.style == QUARTIC) { // the offset is always 0 at rc par.offset = 0.0; - // correct cutsq - par.cutsq = mypow(par.param.quartic.rc, 2); } } } diff --git a/src/MISC/pair_list.h b/src/MISC/pair_list.h index 2d00788811..dab8ba3fc9 100644 --- a/src/MISC/pair_list.h +++ b/src/MISC/pair_list.h @@ -50,7 +50,7 @@ class PairList : public Pair { double epsilon, sigma; }; struct quartic_p { - double k, b1, b2, rc; + double k, b1, b2; };