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Corrected some errors in the mathematical expressions 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2013-01-09 03:01:48 +00:00
parent 1d9c027463
commit 5d0835345b
2 changed files with 4 additions and 1 deletions
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doc/Eqs/pair_gromacs.jpg
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doc/Eqs/pair_gromacs.tex
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@ -8,7 +8,10 @@ E_{LJ} & = & 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} -
\qquad r < r_c \\
E_C & = & \frac{C q_i q_j}{\epsilon r} + S_C(r) \qquad r < r_c \\
S(r) & = & C \qquad r < r_1 \\
S(r) & = & \frac{A}{3} (r - r_1)^3 + \frac{B}{4} (r - r_1)^4 + C \qquad r_1 < r < r_c
S(r) & = & \frac{A}{3} (r - r_1)^3 + \frac{B}{4} (r - r_1)^4 + C \qquad r_1 < r < r_c \\
A & = & (-3 E'(r_c) + (r_c - r_1) E''(r_c))/(r_c - r_1)^2 \\
B & = & (2 E'(r_c) - (r_c - r_1) E''(r_c))/(r_c - r_1)^3 \\
C & = & -E(r_c) + \frac{1}{2} (r_c - r_1) E'(r_c) - \frac{1}{12} (r_c - r_1)^2 E''(r_c)) \\
\end{eqnarray*}
\end{document}