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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3661 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2010-01-12 16:43:03 +00:00
parent 62bfbe53fa
commit 05f1a5f7d2
2 changed files with 26 additions and 46 deletions
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36
doc/Section_modify.html
View File

@ -40,9 +40,8 @@ class requires 2 files, a source code file (*.cpp) and a header file
new option. Depending on how different your new feature is compared
to existing features, you can either derive from the base class
itself, or from a derived class that already exists. Enabling LAMMPS
to invoke the new class is as simple as adding two lines to the
style_user.h file, in the same syntax as other LAMMPS classes are
specified in the style.h file.
to invoke the new class is as simple as putting the two source
files in the src dir and re-building LAMMPS.
</P>
<P>The advantage of C++ and its object-orientation is that all the code
and variables needed to define the new feature are in the 2 files you
@ -57,25 +56,17 @@ command like
</P>
<PRE>pair_style foo 0.1 3.5
</PRE>
<P>you put your 2 files in the LAMMPS src directory, add 2 lines to the
style_user.h file, and re-make the code.
<P>then these lines should appear at the top of your pair_foo.h file:
</P>
<P>The first line added to style_user.h would be
</P>
<PRE>PairStyle(foo,PairFoo)
<PRE>#ifdef PAIR_CLASS
PairStyle(foo,PairFoo)
#else
</PRE>
<P>in the #ifdef PairClass section, where "foo" is the style keyword in
the pair_style command, and PairFoo is the class name in your C++
<P>where "foo" is the style keyword in the pair_style command, and
PairFoo is the class name defined in your pair_foo.cpp and pair_foo.h
files.
</P>
<P>The 2nd line added to style_user.h would be
</P>
<PRE>#include "pair_foo.h"
</PRE>
<P>in the #ifdef PairInclude section, where pair_foo.h is the name of
your new include file.
</P>
<P>When you re-make LAMMPS, your new pairwise potential becomes part of
<P>When you re-build LAMMPS, your new pairwise potential becomes part of
the executable and can be invoked with a pair_style command like the
example above. Arguments like 0.1 and 3.5 can be defined and
processed by your new class.
@ -576,15 +567,14 @@ consideration. Following these steps will save time for both you and
us. See existing package files for examples.
</P>
<P>Your user package will be a directory with a name like USER-FOO. In
addition to your new files, the directory should contain a README,
Install.csh and style_user_foo.h file. Send us a tarball of this
USER-FOO directory.
addition to your new files, the directory should contain a README, and
Install.csh file. Send us a tarball of this USER-FOO directory.
</P>
<P>The README text file should contain your name and contact information
and a brief description of what your new package does.
</P>
<P>The Install.csh and style_user_foo.h files enable LAMMPS to include
and exclude your package.
<P>The Install.csh file enables LAMMPS to include and exclude your
package.
</P>
<P>Your new source files need to have the LAMMPS copyright, GPL notice,
and your name at the top. They need to create a class that is inside

36
doc/Section_modify.txt
View File

@ -37,9 +37,8 @@ class requires 2 files, a source code file (*.cpp) and a header file
new option. Depending on how different your new feature is compared
to existing features, you can either derive from the base class
itself, or from a derived class that already exists. Enabling LAMMPS
to invoke the new class is as simple as adding two lines to the
style_user.h file, in the same syntax as other LAMMPS classes are
specified in the style.h file.
to invoke the new class is as simple as putting the two source
files in the src dir and re-building LAMMPS.
The advantage of C++ and its object-orientation is that all the code
and variables needed to define the new feature are in the 2 files you
@ -54,25 +53,17 @@ command like
pair_style foo 0.1 3.5 :pre
you put your 2 files in the LAMMPS src directory, add 2 lines to the
style_user.h file, and re-make the code.
then these lines should appear at the top of your pair_foo.h file:
The first line added to style_user.h would be
#ifdef PAIR_CLASS
PairStyle(foo,PairFoo)
#else :pre
PairStyle(foo,PairFoo) :pre
in the #ifdef PairClass section, where "foo" is the style keyword in
the pair_style command, and PairFoo is the class name in your C++
where "foo" is the style keyword in the pair_style command, and
PairFoo is the class name defined in your pair_foo.cpp and pair_foo.h
files.
The 2nd line added to style_user.h would be
#include "pair_foo.h" :pre
in the #ifdef PairInclude section, where pair_foo.h is the name of
your new include file.
When you re-make LAMMPS, your new pairwise potential becomes part of
When you re-build LAMMPS, your new pairwise potential becomes part of
the executable and can be invoked with a pair_style command like the
example above. Arguments like 0.1 and 3.5 can be defined and
processed by your new class.
@ -553,15 +544,14 @@ consideration. Following these steps will save time for both you and
us. See existing package files for examples.
Your user package will be a directory with a name like USER-FOO. In
addition to your new files, the directory should contain a README,
Install.csh and style_user_foo.h file. Send us a tarball of this
USER-FOO directory.
addition to your new files, the directory should contain a README, and
Install.csh file. Send us a tarball of this USER-FOO directory.
The README text file should contain your name and contact information
and a brief description of what your new package does.
The Install.csh and style_user_foo.h files enable LAMMPS to include
and exclude your package.
The Install.csh file enables LAMMPS to include and exclude your
package.
Your new source files need to have the LAMMPS copyright, GPL notice,
and your name at the top. They need to create a class that is inside