convert double quotes to latex style
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@ -22,10 +22,10 @@ users.
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LAMMPS source files are in two directories of the distribution
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tarball. The src directory has the majority of them, all of which are
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C++ files (*.cpp and *.h). Many of these files are in the src
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directory itself. There are also dozens of "packages", which can be
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directory itself. There are also dozens of ``packages'', which can be
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included or excluded when LAMMPS is built. See the
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doc/Section\_build.html section of the manual for more information
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about packages, or type "make" from within the src directory, which
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about packages, or type ``make'' from within the src directory, which
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lists package-related commands, such as ``make package-status''. The
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source files for each package are in an all-uppercase sub-directory of
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src, like src/MOLECULE or src/USER-CUDA. If the package is currently
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@ -38,17 +38,17 @@ The lib directory also contains source code for external libraries,
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used by a few of the packages. Each sub-directory, like meam or gpu,
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contains the source files, some of which are in different languages
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such as Fortran. The files are compiled into libraries from within
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each sub-directory, e.g. performing a "make" in the lib/meam directory
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each sub-directory, e.g. performing a ``make'' in the lib/meam directory
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creates a libmeam.a file. These libraries are linked to during a
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LAMMPS build, if the corresponding package is installed.
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LAMMPS C++ source files almost always come in pairs, such as run.cpp
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and run.h. The pair of files defines a C++ class, the Run class in
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this case, which contains the code invoked by the "run" command in a
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this case, which contains the code invoked by the ``run'' command in a
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LAMMPS input script. As this example illustrates, source file and
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class names often have a one-to-one correspondence with a command used
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in a LAMMPS input script. Some source files and classes do not have a
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corresponding input script command, e.g. force.cpp and the Force
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corresponding input script command, e.g. ``force.cpp'' and the Force
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class. They are discussed in the next section.
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\pagebreak
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@ -57,12 +57,12 @@ class. They are discussed in the next section.
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Though LAMMPS has a lot of source files and classes, its class
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hierarchy is quite simple, as outlined in Fig \ref{fig:classes}. Each
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boxed name refers to a class and has a pair of associated source files
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in lammps/src, e.g. memory.cpp and memory.h. More details on the
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in lammps/src, e.g. ``memory.cpp'' and ``memory.h''. More details on the
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class and its methods and data structures can be found by examining
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its *.h file.
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LAMMPS (lammps.cpp/h) is the top-level class for the entire code. It
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holds an "instance" of LAMMPS and can be instantiated one or more
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holds an ``instance'' of LAMMPS and can be instantiated one or more
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times by a calling code. For example, the file src/main.cpp simply
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instantiates one instance of LAMMPS and passes it the input script.
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@ -81,7 +81,7 @@ enabled by a bit of cleverness in the Pointers class (see
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src/pointers.h) which every class inherits from.
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There are a handful of virtual parent classes in LAMMPS that define
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what LAMMPS calls "styles". They are shaded red in Fig
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what LAMMPS calls ``styles''. They are shaded red in Fig
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\ref{fig:classes}. Each of these are parents of a number of child
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classes that implement the interface defined by the parent class. For
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example, the fix style has around 100 child classes. They are the
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@ -89,17 +89,17 @@ possible fixes that can be specified by the fix command in an input
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script, e.g. fix nve, fix shake, fix ave/time, etc. The corresponding
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classes are Fix (for the parent class), FixNVE, FixShake, FixAveTime,
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etc. The source files for these classes are easy to identify in the
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src directory, since they begin with the word "fix", e,g,
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src directory, since they begin with the word ``fix'', e,g,
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fix\_nve.cpp, fix\_shake,cpp, fix\_ave\_time.cpp, etc.
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The one exception is child class files for the "command" style. These
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The one exception is child class files for the ``command'' style. These
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implement specific commands in the input script that can be invoked
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before/after/between runs or which launch a simulation. Examples are
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the create\_box, minimize, run, and velocity commands which encode the
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CreateBox, Minimize, Run, and Velocity classes. The corresponding
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files are create\_box,cpp, minimize.cpp, run.cpp, and velocity.cpp.
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The list of command style files can be found by typing "grep
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COMMAND\_CLASS *.h" from within the src directory, since that word in
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The list of command style files can be found by typing ``grep
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COMMAND\_CLASS *.h'' from within the src directory, since that word in
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the header file identifies the class as an input script command.
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Similar words can be grepped to list files for the other LAMMPS
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styles. E.g. ATOM\_CLASS, PAIR\_CLASS, BOND\_CLASS, REGION\_CLASS,
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@ -471,13 +471,13 @@ FixStyle(your/fix/name,FixMine)
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\end{verbatim}
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\end{center}
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Where "your/fix/name" is a name of your fix in the script and FixMine
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Where ``your/fix/name'' is a name of your fix in the script and FixMine
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is the name of the class. This code allows LAMMPS to find your fix
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when it parses input script. In addition, your fix header must be
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included in the file "style\_fix.h". In case if you use LAMMPS make,
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included in the file ``style\_fix.h''. In case if you use LAMMPS make,
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this file is generated automatically - all files starting with prefix
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fix\_ are included, so call your header the same way. Otherwise, don't
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forget to add your include into "style\_fix.h".
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forget to add your include into ``style\_fix.h''.
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Let's write a simple fix which will print average velocity at the end
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of each timestep. First of all, implement a constructor:
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@ -567,11 +567,11 @@ void FixPrintVel::end_of_step()
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\end{center}
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In the code above, we use MathExtra routines defined in
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"math\_extra.h". There are bunch of math functions to work with
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``math\_extra.h''. There are bunch of math functions to work with
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arrays of doubles as with math vectors.
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In this code we use an instance of Atom class. This object is stored
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in the Pointers class (see "pointers.h"). This object contains all
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in the Pointers class (see ``pointers.h''). This object contains all
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global information about the simulation system. Data from Pointers
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class available to all classes inherited from it using protected
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inheritance. Hence when you write you own class, which is going to use
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@ -689,7 +689,7 @@ int FixSavePos::unpack_exchange(int nlocal, double *buf)
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Now, a little bit about memory allocation. We used Memory class which
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is just a bunch of template functions for allocating 1D and 2D
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arrays. So you need to add include "memory.h" to have access to them.
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arrays. So you need to add include ``memory.h'' to have access to them.
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Finally, if you need to write/read some global information used in
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your fix to the restart file, you might do it by setting flag
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