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small cleaning first part of tutorial 1
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files/tutorial1/solution/improved.md.lmp

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@@ -41,6 +41,6 @@ dump_modify viz adiam 1 1 adiam 2 3 acolor 1 turquoise acolor 2 royalblue backco
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# 5) Run
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velocity all create 1.0 49284 mom yes dist gaussian
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fix mynve all nve
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fix mylgv all langevin 1.0 1.0 0.1 1530917 zero yes
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fix mylgv all langevin 1.0 1.0 0.1 10917 zero yes
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timestep 0.005
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run 300000

files/tutorial1/solution/initial.lmp

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@@ -30,11 +30,14 @@ minimize 1.0e-6 1.0e-6 1000 10000
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# 4) Visualization
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thermo 50
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thermo_style custom step temp etotal pe ke press
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dump viz all image 100 myimage-*.ppm type type size 800 800 zoom 1.452 shiny 0.7 fsaa yes &
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view 80 10 box yes 0.025 axes no 0.0 0.0 center s 0.483725 0.510373 0.510373
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dump_modify viz pad 9 boxcolor darkblue backcolor white adiam 1 1.6 adiam 2 4.8
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dump viz all image 100 myimage−*.ppm type type &
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size 800 800 zoom 1.452 shiny 0.7 fsaa yes &
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view 80 10 box yes 0.025 axes no 0.0 0.0 &
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center s 0.483725 0.510373 0.510373
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dump_modify viz pad 9 boxcolor royalblue &
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backcolor white adiam 1 1.6 adiam 2 4.8
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# 5) Run
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fix mynve all nve
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fix mylgv all langevin 1.0 1.0 0.1 1530917
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fix mylgv all langevin 1.0 1.0 0.1 10917
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timestep 0.005
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run 15000

lammps-tutorials.tex

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@@ -791,7 +791,7 @@ \subsubsection{My first input}
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\begin{lstlisting}
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# 5) Run
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fix mynve all nve
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fix mylgv all langevin 1.0 1.0 0.1 1530917
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fix mylgv all langevin 1.0 1.0 0.1 10917
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timestep 0.005
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run 15000
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\end{lstlisting}
@@ -806,7 +806,7 @@ \subsubsection{My first input}
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of randomly added velocities). Since a constant friction term removes
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more kinetic energy from fast atoms and less from slow atoms, the system
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will eventually reach a dynamic equilibrium where the kinetic energy
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removed and added are about the same. The number 1530917 is a
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removed and added are about the same. The number 10917 is a
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seed used to initialize the random number generator used inside of
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\lmpcmd{fix langevin}; you can change it to perform statistically
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independent simulations. In the presence of a thermostat, the MD simulation
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image files.
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The rendering of the system can be further adjusted using the many
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options of the \lmpcmd{dump image} command. Fir instance, the value for the
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options of the \lmpcmd{dump image} command. For instance, the value for the
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\lmpcmd{shiny} keyword is used to adjust the shininess of the atoms, the
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\lmpcmd{box} keyword adds or removes a representation of the box, and
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the \lmpcmd{view} and \lmpcmd{zoom} keywords adjust the camera (and so
@@ -1115,7 +1115,7 @@ \subsubsection{Improving the script}
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# 5) Run
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velocity all create 1.0 49284 mom yes dist gaussian
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fix mynve all nve
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fix mylgv all langevin 1.0 1.0 0.1 1530917 zero yes
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fix mylgv all langevin 1.0 1.0 0.1 10917 zero yes
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timestep 0.005
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run 300000
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\end{lstlisting}

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