git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8014 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-04-11 16:45:12 +00:00
parent 039ebfbdbe
commit 41f90e6a0e
1 changed files with 3 additions and 1 deletions
--- 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);