diff --git a/src/USER-DRUDE/pair_coul_tt.cpp b/src/USER-DRUDE/pair_coul_tt.cpp index d9c0589754..b417c0660b 100644 --- a/src/USER-DRUDE/pair_coul_tt.cpp +++ b/src/USER-DRUDE/pair_coul_tt.cpp @@ -160,7 +160,7 @@ void PairCoulTT::compute(int eflag, int vflag) if (drudetype[type[i]] == CORE_TYPE && drudetype[type[j]] == CORE_TYPE) dcoul = qqrd2e * ( -(q[i]+q[di])*q[dj] - q[di]*(q[j]+q[dj]) ) * scale[itype][jtype] * rinv; else - dcoul = qqrd2e * qi * qj *scale[itype][jtype] * rinv; + dcoul = qqrd2e * qi * qj *scale[itype][jtype] * rinv; factor_f = (-beta*gamma + r*betaprime*gamma + r*beta*gammaprime)*factor_coul; if(eflag) factor_e = - beta*gamma*factor_coul; @@ -174,7 +174,7 @@ void PairCoulTT::compute(int eflag, int vflag) f[j][1] -= dely*fpair; f[j][2] -= delz*fpair; } - + if (eflag) ecoul = factor_e * dcoul; @@ -286,7 +286,7 @@ void PairCoulTT::init_style() error->all(FLERR,"Pair style coul/tt requires atom attribute q"); int ifix; for (ifix = 0; ifix < modify->nfix; ifix++) - if (utils::strmatch(modify->fix[ifix]->style,"drude") == 0) break; + if (utils::strmatch(modify->fix[ifix]->style,"^drude")) break; if (ifix == modify->nfix) error->all(FLERR, "Pair coul/tt requires fix drude"); fix_drude = (FixDrude *) modify->fix[ifix]; @@ -438,9 +438,9 @@ double PairCoulTT::single(int i, int j, int itype, int jtype, void *PairCoulTT::extract(const char *str, int &dim) { dim = 2; - if (utils::strmatch(str,"scale") == 0) return (void *) scale; - if (utils::strmatch(str,"b") == 0) return (void *) b; - if (utils::strmatch(str,"c") == 0) return (void *) c; - if (utils::strmatch(str,"ntt") == 0) return (void *) ntt; + if (strcmp(str,"scale") == 0) return (void *) scale; + if (strcmp(str,"b") == 0) return (void *) b; + if (strcmp(str,"c") == 0) return (void *) c; + if (strcmp(str,"ntt") == 0) return (void *) ntt; return nullptr; }