Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F90443248
pair_gromacs.tex
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Fri, Nov 1, 17:22
Size
712 B
Mime Type
text/x-tex
Expires
Sun, Nov 3, 17:22 (2 d)
Engine
blob
Format
Raw Data
Handle
22074887
Attached To
rLAMMPS lammps
pair_gromacs.tex
View Options
\documentstyle[12pt]{article}
\begin{document}
\begin{eqnarray*}
E_{LJ} & = & 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} -
\left(\frac{\sigma}{r}\right)^6 \right] + S_{LJ}(r)
\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 \\
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}
Event Timeline
Log In to Comment