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

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pscrozi
2012-04-11 16:45:12 +00:00
parent 039ebfbdbe
commit 41f90e6a0e
1 changed files with 3 additions and 1 deletions
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src/pair_table.cpp
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@ -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 ep0 = - tb->f[0] / (2.0 * sqrt(tb->innersq));
double epn = - tb->f[tlm1] / (2.0 * tb->cut); double epn = - tb->f[tlm1] / (2.0 * tb->cut);