From a4b5cb4dc923fc103c4218e6b0095468ace04513 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 6 Aug 2012 22:23:19 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8537 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/pair_beck.cpp | 1 - src/pair_lj_smooth_linear.cpp | 4 ++-- src/pair_soft.cpp | 3 ++- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/pair_beck.cpp b/src/pair_beck.cpp index 696fb6c79c..b5aee0f6c2 100644 --- a/src/pair_beck.cpp +++ b/src/pair_beck.cpp @@ -239,7 +239,6 @@ double PairBeck::init_one(int i, int j) aa[j][i] = aa[i][j]; alpha[j][i] = alpha[i][j]; beta[j][i] = beta[i][j]; - cut[j][i] = cut[i][j]; return cut[i][j]; } diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp index 7e8a8cab1b..eea1642e4b 100644 --- a/src/pair_lj_smooth_linear.cpp +++ b/src/pair_lj_smooth_linear.cpp @@ -177,9 +177,8 @@ void PairLJSmoothLinear::settings(int narg, char **arg) int i,j; for (i = 1; i <= atom->ntypes; i++) for (j = i+1; j <= atom->ntypes; j++) - if (setflag[i][j]) { + if (setflag[i][j]) cut[i][j] = cut_global; - } } } @@ -241,6 +240,7 @@ double PairLJSmoothLinear::init_one(int i, int j) ljcut[i][j] = cut6inv*(lj3[i][j]*cut6inv-lj4[i][j]); dljcut[i][j] = cutinv*cut6inv*(lj1[i][j]*cut6inv-lj2[i][j]); + cut[j][i] = cut[i][j]; lj1[j][i] = lj1[i][j]; lj2[j][i] = lj2[i][j]; lj3[j][i] = lj3[i][j]; diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp index c6d38c7055..5782b20e05 100644 --- a/src/pair_soft.cpp +++ b/src/pair_soft.cpp @@ -166,7 +166,8 @@ void PairSoft::settings(int narg, char **arg) void PairSoft::coeff(int narg, char **arg) { - if (narg < 3 || narg > 4) error->all(FLERR,"Incorrect args for pair coefficients"); + if (narg < 3 || narg > 4) + error->all(FLERR,"Incorrect args for pair coefficients"); if (!allocated) allocate(); int ilo,ihi,jlo,jhi;