From 41f90e6a0e99e75997b75a3467de7ae0015e27cb Mon Sep 17 00:00:00 2001 From: pscrozi Date: Wed, 11 Apr 2012 16:45:12 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8014 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/pair_table.cpp | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/pair_table.cpp b/src/pair_table.cpp index 77af72f917..4d6af49cac 100644 --- a/src/pair_table.cpp +++ b/src/pair_table.cpp @@ -620,7 +620,9 @@ void PairTable::compute_table(Table *tb) } } - // ep0,epn = dE/dr at inner and at cut + // ep0,epn = dh/dg at inner and at cut + // h(r) = e(r) and g(r) = r^2 + // dh/dg = (de/dr) / 2r = -f/2r double ep0 = - tb->f[0] / (2.0 * sqrt(tb->innersq)); double epn = - tb->f[tlm1] / (2.0 * tb->cut);