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clean the codes

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This commit is contained in:
Wengen Ouyang
2021-01-11 08:48:40 +02:00
parent 86264c85a5
commit eec0cc4921
1 changed files with 2 additions and 3 deletions
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5
src/MANYBODY/pair_tersoff.cpp
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@ -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" #include "pair_tersoff.h"
@ -688,8 +689,6 @@ void PairTersoff::attractive(Param *param, double prefactor,
if (shift_flag == 1) { if (shift_flag == 1) {
rijinv = 1.0/(rij - shift); rijinv = 1.0/(rij - shift);
rikinv = 1.0/(rik - 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); ters_zetaterm_d(prefactor,rij_hat,rij,rijinv,rik_hat,rik,rikinv,fi,fj,fk,param);