From 54c5337d2dca99e1389cdae3f2e83e41515ef25f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 7 Jul 2022 08:59:49 -0400 Subject: [PATCH] apply clang-format --- src/EXTRA-PAIR/pair_coul_slater_long.cpp | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/src/EXTRA-PAIR/pair_coul_slater_long.cpp b/src/EXTRA-PAIR/pair_coul_slater_long.cpp index 7351c2a493..6662ae3721 100644 --- a/src/EXTRA-PAIR/pair_coul_slater_long.cpp +++ b/src/EXTRA-PAIR/pair_coul_slater_long.cpp @@ -116,14 +116,14 @@ void PairCoulSlaterLong::compute(int eflag, int vflag) if (rsq < cut_coulsq) { r2inv = 1.0/rsq; - r = sqrt(rsq); - grij = g_ewald * r; - expm2 = exp(-grij*grij); - t = 1.0 / (1.0 + EWALD_P*grij); - erfc = t * (A1+t*(A2+t*(A3+t*(A4+t*A5)))) * expm2; - slater_term = exp(-2*r/lamda)*(1 + (2*r/lamda*(1+r/lamda))); - prefactor = qqrd2e * scale[itype][jtype] * qtmp*q[j]/r; - forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - slater_term); + r = sqrt(rsq); + grij = g_ewald * r; + expm2 = exp(-grij*grij); + t = 1.0 / (1.0 + EWALD_P*grij); + erfc = t * (A1+t*(A2+t*(A3+t*(A4+t*A5)))) * expm2; + slater_term = exp(-2*r/lamda)*(1 + (2*r/lamda*(1+r/lamda))); + prefactor = qqrd2e * scale[itype][jtype] * qtmp*q[j]/r; + forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - slater_term); if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor*(1-slater_term); fpair = forcecoul * r2inv; @@ -138,7 +138,7 @@ void PairCoulSlaterLong::compute(int eflag, int vflag) } if (eflag) { - ecoul = prefactor*(erfc - (1 + r/lamda)*exp(-2*r/lamda)); + ecoul = prefactor*(erfc - (1 + r/lamda)*exp(-2*r/lamda)); if (factor_coul < 1.0) ecoul -= (1.0-factor_coul)*prefactor*(1.0-(1 + r/lamda)*exp(-2*r/lamda)); }