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continue fixing small inconsistencies
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lammps-tutorials.tex

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@@ -1217,15 +1217,13 @@ \subsection{Tutorial 2: Pulling on a carbon nanotube}
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In this tutorial, the system of interest is a small, single-walled
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carbon nanotube (CNT) in an empty box (Fig.~\ref{fig:CNT}). The CNT is
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strained by fixing atoms at one end and moving atoms at the
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other end with constant velocity. To illustrate the difference between
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conventional and reactive force fields, this % SG: I am not sure why typelabel_paper was cited here. Am I wrong to remove it?
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strained by imposing a constant velocity on the edge atoms.
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To illustrate the difference between conventional and reactive force fields, this
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tutorial is divided into two parts: in the first part, a conventional molecular force
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field (called OPLS-AA~\cite{jorgensenDevelopmentTestingOPLS1996}) is
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used and the bonds between the atoms of the CNT are unbreakable. In the
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second part, a reactive force field (called AIREBO
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\cite{stuart2000reactive}) is used, allowing for the breaking of
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chemical bonds when the CNT experiences large strain.
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\cite{stuart2000reactive}) is used, which allows chemical bonds to break under large strain.
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To set up this tutorial, select \guicmd{Start Tutorial 2} from the
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\guicmd{Tutorials} menu of LAMMPS--GUI and follow the instructions. This will
@@ -1463,7 +1461,7 @@ \subsubsection{Unbreakable bonds}
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\begin{note}
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The \lmpcmdnote{velocity set}
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commands impose the velocity of a group of atoms at the start of a run but do
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command imposes the velocity of a group of atoms at the start of a run but does
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not enforce the velocity during the entire simulation. When \lmpcmdnote{velocity set}
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is used in combination with \lmpcmdnote{setforce 0 0 0}, as is the case here, the
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atoms won't feel any force during the entire simulation. According to the Newton
@@ -1744,7 +1742,7 @@ \subsection{Tutorial 3: Polymer in water}
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for the PEG, the SPC/Fw model~\cite{wu2006flexible} is used for the water, and the
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long-range Coulomb interactions are solved using the PPPM solver~\cite{luty1996calculating}.
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This tutorial was inspired by a publication by Liese and coworkers, in which molecular
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dynamics simulations are compared with force spectroscopy experiments~\cite{liese2017hydration}.
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dynamics simulations are compared with force spectroscopy experiments, see Ref.\,~\citenum{liese2017hydration}.
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\subsubsection{Preparing the water reservoir}
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@@ -1906,9 +1904,9 @@ \subsubsection{Preparing the water reservoir}
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\begin{figure}
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\centering
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\includegraphics[width=\linewidth]{PEG-density}
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\caption{a) Temperature of the water reservoir from
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\hyperref[all-atom-label]{Tutorial 3} with time $t$. The horizontal dashed line is
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the target temperature of 300\,K. b) Evolution of the density $\rho$.}
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\caption{a) Temperature ($T$) of the water reservoir from
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\hyperref[all-atom-label]{Tutorial 3} as a function of the ($t$). The horizontal dashed line is
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the target temperature of 300\,K. b) Evolution of the system density ($\rho$) with $t$.}
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\label{fig:PEG-density}
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\end{figure}
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