small cleaning

This commit is contained in:
Evangelos Voyiatzis
2020-03-10 21:55:17 +01:00
committed by GitHub
parent be037e222c
commit da2e6b2389

View File

@ -103,7 +103,7 @@ void PairCoulSlaterCut::compute(int eflag, int vflag)
}
if (eflag) ecoul = factor_coul * qqrd2e *
scale[itype][jtype] * qtmp*q[j] * rinv *
scale[itype][jtype] * qtmp*q[j] * rinv *
(1 - (1 + r/lamda)*exp(-2*r/lamda));
if (evflag) ev_tally(i,j,nlocal,newton_pair,