diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 4fdf8161b4..4b32c125f6 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -265,16 +265,22 @@ void PairHybrid::settings(int narg, char **arg) // respa_enable = 1 if any sub-style is set // no_virial_fdotr_compute = 1 if any sub-style is set // ghostneigh = 1 if any sub-style is set + // ewaldflag, pppmflag, msmflag, + // dispersionflag, tip4pflag, proxyflag = 1 if any sub-style is set single_enable = 0; - for (m = 0; m < nstyles; m++) + for (m = 0; m < nstyles; m++) { if (styles[m]->single_enable) single_enable = 1; - for (m = 0; m < nstyles; m++) if (styles[m]->respa_enable) respa_enable = 1; - for (m = 0; m < nstyles; m++) if (styles[m]->no_virial_fdotr_compute) no_virial_fdotr_compute = 1; - for (m = 0; m < nstyles; m++) if (styles[m]->ghostneigh) ghostneigh = 1; + if (styles[m]->ewaldflag) ewaldflag = 1; + if (styles[m]->pppmflag) pppmflag = 1; + if (styles[m]->msmflag) msmflag = 1; + if (styles[m]->dispersionflag) dispersionflag = 1; + if (styles[m]->tip4pflag) tip4pflag = 1; + if (styles[m]->proxyflag) proxyflag = 1; + } // single_extra = min of all sub-style single_extra // allocate svector