int dipolar_set_Dbjerrum(double bjerrum) { if (bjerrum < 0.0) return ES_ERROR; coulomb.Dbjerrum = bjerrum; if (coulomb.Dbjerrum == 0.0) { switch (coulomb.Dmethod) { #ifdef DP3M case DIPOLAR_MDLC_P3M: // fall through case DIPOLAR_P3M: coulomb.Dbjerrum = bjerrum; dp3m_set_bjerrum(); break; #endif case DIPOLAR_SCAFACOS: ; // Fall through default: break; } mpi_bcast_coulomb_params(); set_dipolar_method_local(DIPOLAR_NONE); mpi_bcast_coulomb_params(); } return ES_OK; }
int dipolar_set_Dbjerrum(double bjerrum) { if (bjerrum < 0.0) return ES_ERROR; coulomb.Dbjerrum = bjerrum; if (coulomb.Dbjerrum == 0.0) { switch (coulomb.Dmethod) { #ifdef DP3M case DIPOLAR_MDLC_P3M: // fall through case DIPOLAR_P3M: coulomb.Dbjerrum = bjerrum; dp3m_set_bjerrum(); break; #endif } mpi_bcast_coulomb_params(); coulomb.Dmethod = DIPOLAR_NONE; mpi_bcast_coulomb_params(); } return ES_OK; }