diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index 09152fd5d3..1066ead2ff 100755 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -488,7 +488,7 @@ void PairTersoff::read_file(char *file) params[nparams].bigb < 0.0 || params[nparams].bigr < 0.0 || params[nparams].bigd < 0.0 || params[nparams].bigd > params[nparams].bigr || - params[nparams].lam3 < 0.0 || params[nparams].biga < 0.0 || + params[nparams].lam1 < 0.0 || params[nparams].biga < 0.0 || params[nparams].powerm - params[nparams].powermint != 0.0 || (params[nparams].powermint != 3 && params[nparams].powermint != 1) || params[nparams].gamma < 0.0) @@ -709,7 +709,7 @@ double PairTersoff::ters_gijk(double costheta, Param *param) return param->gamma*(1.0 + pow(ters_c/ters_d,2.0) - pow(ters_c,2.0) / (pow(ters_d,2.0) + pow(param->h - costheta,2.0))); -} +}; /* ---------------------------------------------------------------------- */ @@ -796,4 +796,4 @@ void PairTersoff::costheta_d(double *rij_hat, double rij, vec3_scale(1.0/rik,drk,drk); vec3_add(drj,drk,dri); vec3_scale(-1.0,dri,dri); -} +};