From a6c0fb87e2053cd2ac6fdecdde4898142429b4d1 Mon Sep 17 00:00:00 2001 From: athomps Date: Tue, 28 Apr 2015 00:16:01 +0000 Subject: [PATCH] Corrected error in etail and ptail git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13436 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/pair_lj_expand.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp index 7fe359dd60..dfd1058b55 100644 --- a/src/pair_lj_expand.cpp +++ b/src/pair_lj_expand.cpp @@ -282,7 +282,7 @@ double PairLJExpand::init_one(int i, int j) double shift3 = shift2*shift[i][j]; etail_ij = 8.0*MY_PI*all[0]*all[1]*epsilon[i][j] * sig6*(sig6*(1.0/(9.0*rc9) + shift[i][j]/(5.0*rc10) + - shift2/(11.0*rc11)) - + shift2/(11.0*rc11)) - (1.0/(3.0*rc3) + shift[i][j]/(2.0*rc4) + shift2/(5.0*rc5))); ptail_ij = 16.0*MY_PI*all[0]*all[1]*epsilon[i][j] * sig6*(sig6*(2.0/(9.0*rc9) + 3.0*shift[i][j]/(5.0*rc10) +