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small cleaning

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This commit is contained in:
Evangelos Voyiatzis
2020-03-10 21:55:17 +01:00
committed by GitHub
parent be037e222c
commit da2e6b2389
1 changed files with 1 additions and 1 deletions
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src/USER-MISC/pair_coul_slater_cut.cpp
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@ -103,7 +103,7 @@ void PairCoulSlaterCut::compute(int eflag, int vflag)
} }
if (eflag) ecoul = factor_coul * qqrd2e * 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)); (1 - (1 + r/lamda)*exp(-2*r/lamda));
if (evflag) ev_tally(i,j,nlocal,newton_pair, if (evflag) ev_tally(i,j,nlocal,newton_pair,