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small formatting improvement, sync solutions
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files/tutorial1/solution/improved.md.lmp

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@@ -22,7 +22,7 @@ group grp_t1_in intersect grp_t1 grp_in
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group grp_t2_out intersect grp_t2 grp_out
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delete_atoms group grp_t1_in
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delete_atoms group grp_t2_out
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# delete unnecessary groups
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# delete no longer needed groups
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group grp_in delete
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group grp_out delete
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group grp_t1_in delete

files/tutorial1/solution/initial.lmp

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@@ -9,6 +9,7 @@ units lj
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dimension 3
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atom_style atomic
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boundary p p p
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# 2) System definition
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# 2) System definition
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region simbox block -20 20 -20 20 -20 20

lammps-tutorials.tex

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@@ -953,7 +953,7 @@ \subsubsection{Improving the script}
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of the simulation, a file called \flecmd{improved.min.data} is created.
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You can view the contents of this file from \lammpsgui{}, by
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right-clicking on the file name in the editor and selecting the entry
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\guicmd{View file `improved.min.data'}.
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\guicmd{View file improved.min.data}.
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\begin{figure}
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\centering
@@ -1055,7 +1055,7 @@ \subsubsection{Improving the script}
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to delete groups that are no longer needed. This can be done by adding the
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following four commands to \flecmd{improved.md.lmp}:
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\begin{lstlisting}
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# delete unnecessary groups
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# delete no longer needed groups
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group grp_in delete
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group grp_out delete
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group grp_t1_in delete
@@ -1186,11 +1186,11 @@ \subsubsection{Improving the script}
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may lead to additional insights into how different systems are configured
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and how various features function:
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\begin{itemize}
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\item Use the Nos\'e-Hoover thermostat (\lmpcmd{fix nvt}) instead of the Langevin thermostat
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\item Use a Nos\'e-Hoover thermostat (\lmpcmd{fix nvt}) instead of a Langevin thermostat
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(\lmpcmd{fix nve} + \lmpcmd{fix langevin}).
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\item Omit the energy minimization step before starting the MD simulation using either
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the Nos\'e-Hoover or the Langevin thermostat.
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\item Apply the thermostat to only one type of atoms and observe the
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\item Apply a thermostat to only one type of atoms each and observe the
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temperature for each type separately.
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\item Append an NVE run (i.e.~without any thermostat) and observe the energy levels.
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\end{itemize}

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