@@ -442,7 +442,7 @@ \subsubsection{My first input}
442442follow the instructions. This will select, and -- if needed -- create,
443443a folder, place the initial input file \textit {initial.lmp } into it, and
444444open it in the LAMMPS--GUI editor. The editor should have the following
445- content.
445+ content afterwards .
446446{\normalsize
447447\begin {verbatim }
448448# PART A - ENERGY MINIMIZATION
@@ -475,39 +475,38 @@ \subsubsection{My first input}
475475spheres with a radius and angular velocities). These commands must be
476476executed \emph {before } the simulation box is created, and they will
477477cause an error if entered later. Similarly, many LAMMPS commands may
478- only be entered \emph {after } the simulation box is defined. Only a
479- very small number of commands may be used in both cases. Enter the
480- following lines into \textit {input .lmp }:
478+ only be entered \emph {after } the simulation box is defined. Only a very
479+ small number of commands may be used in both cases. Edit
480+ \textit {initial .lmp } so that the section looks like this :
481481{\normalsize
482482\begin {verbatim }
483- # 1) Initialization
484- units lj
485- dimension 3
486- atom_style atomic
487- boundary p p p
483+ # 1) Initialization
484+ units lj
485+ dimension 3
486+ atom_style atomic
487+ boundary p p p
488488\end {verbatim }
489489}
490490
491491The first line, \textit {units lj }, indicates that we want to use
492492so-called `` reduced units'' in which all quantities are unitless. This
493493is a popular choice for simulations investigating general statistical
494- mechanical principles where only relative differences between
495- parameters matter and that are not aimed to represent any specific
496- material.
497-
498- The second line, \textit {dimension 3 }, indicates that the
499- simulation is in 3D as opposed to a 2D system where atoms can only
500- move in the xy-plane. The third line, \textit {atom\_ style atomic },
501- indicates that the \textit {atomic } style will be used for particles,
502- therefore each particle is just a point with a mass. This is the
503- minimal atom style; other atom styles allow to associate more properties
504- with atoms like charges, bonds, molecule IDs and much more. The
505- choice of atom style is generally determined by the model being
506- simulated. Using a different atom style is possible for as long
507- as it is a superset of the atom style with the required properties.
508- For example, it would be possible to use atom style `` charge'' instead
509- of `` atomic'' . It will not affect the simulation, only it requires
510- more memory to store the (otherwise unused) per-atom properties.
494+ mechanical principles where only relative differences between parameters
495+ matter and that are not aimed to represent any specific material.
496+
497+ The second line, \textit {dimension 3 }, indicates that the simulation is
498+ in 3D as opposed to a 2D system where atoms can only move in the
499+ xy-plane. The third line, \textit {atom\_ style atomic }, indicates that
500+ the \textit {atomic } style will be used for particles, therefore each
501+ particle is just a point with a mass. This is the minimal atom style;
502+ other atom styles allow to associate more properties with atoms like
503+ charges, bonds, molecule IDs and much more. The choice of atom style is
504+ generally determined by the model being simulated. Using a different
505+ atom style is possible for as long as it is a superset of the atom style
506+ with the required properties. For example, it would be possible to use
507+ atom style `` charge'' instead of `` atomic'' . It will not affect the
508+ simulation, only it requires more memory to store the (otherwise unused)
509+ per-atom properties.
511510
512511The last line, \textit {boundary p p p }, indicates that periodic boundary
513512conditions will be used along all three directions of space (the 3
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