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compute_fep_fdti.tex
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Sun, Jul 21, 07:23
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rLAMMPS lammps
compute_fep_fdti.tex
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\documentstyle[12pt]{article}
\begin{document}
\[ \Delta_0^1 A = \int_{\lambda=0}^{\lambda=1} \left( \frac{\partial
A(\lambda)}{\partial\lambda} \right)_\lambda \mathrm{d}\lambda
\approx \sum_{i=0}^{n-1} w_i \frac{A(\lambda_{i} + \delta) -
A(\lambda_i)}{\delta} \]
\end{document}
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