diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index 4ea83d6622..cfa42de6cc 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -12,7 +12,8 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: Aidan Thompson (SNL) + Contributing author: Aidan Thompson (SNL) - original Tersoff implementation + Wengen Ouyang (TAU) - Shift addition ------------------------------------------------------------------------- */ #include "pair_tersoff.h" @@ -688,8 +689,6 @@ void PairTersoff::attractive(Param *param, double prefactor, if (shift_flag == 1) { rijinv = 1.0/(rij - shift); rikinv = 1.0/(rik - shift); - //rijinv *= sqrt(rsqij/(rsqij + shift*shift - 2*sqrt(rsqij)*shift)); - //rikinv *= sqrt(rsqik/(rsqik + shift*shift - 2*sqrt(rsqik)*shift)); } ters_zetaterm_d(prefactor,rij_hat,rij,rijinv,rik_hat,rik,rikinv,fi,fj,fk,param);