diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 6287fb97db..836624cd4b 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -391,6 +391,7 @@ void PairHybrid::flags() // single_enable = 1 if all sub-styles are set // respa_enable = 1 if all sub-styles are set // manybody_flag = 1 if any sub-style is set + // born_matrix_enable = 1 if all sub-styles are set // no_virial_fdotr_compute = 1 if any sub-style is set // ghostneigh = 1 if any sub-style is set // ewaldflag, pppmflag, msmflag, dipoleflag, dispersionflag, tip4pflag = 1 @@ -401,11 +402,13 @@ void PairHybrid::flags() compute_flag = 0; respa_enable = 0; restartinfo = 0; + born_matrix_enable = 0; for (m = 0; m < nstyles; m++) { if (styles[m]->single_enable) ++single_enable; if (styles[m]->respa_enable) ++respa_enable; if (styles[m]->restartinfo) ++restartinfo; + if (styles[m]->born_matrix_enable) ++born_matrix_enable; if (styles[m]->manybody_flag) manybody_flag = 1; if (styles[m]->no_virial_fdotr_compute) no_virial_fdotr_compute = 1; if (styles[m]->ghostneigh) ghostneigh = 1; @@ -422,6 +425,7 @@ void PairHybrid::flags() single_enable = (single_enable == nstyles) ? 1 : 0; respa_enable = (respa_enable == nstyles) ? 1 : 0; restartinfo = (restartinfo == nstyles) ? 1 : 0; + born_matrix_enable = (born_matrix_enable == nstyles) ? 1 : 0; init_svector(); // set centroidstressflag for pair hybrid