forked from lijiext/lammps
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This commit is contained in:
sjplimp
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@ -635,48 +635,51 @@ then be accessed by variables) was discussed
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<A NAME = "mod_15"></A><H4>10.15 Submitting new features for inclusion in LAMMPS
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</H4>
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<P>We encourage users to submit new features that they add to LAMMPS to
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<A HREF = "http://lammps.sandia.gov/authors.html">the developers</A>, especially if
|
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you think the features will be of interest to other users. If they
|
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are broadly useful we may add them as core files to LAMMPS or as part
|
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of a <A HREF = "Section_start.html#start_3">standard package</A>. Else we will add
|
||||
them as a user-contributed package or file. Examples of user packages
|
||||
are in src sub-directories that start with USER. The USER-MISC
|
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package is simply a collection of (mostly) unrelated single files,
|
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which is the simplest way to have your contribution quickly added to
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the LAMMPS distribution. You can see a list of the both standard and
|
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user packages by typing "make package" in the LAMMPS src directory.
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<P>We encourage users to submit new features to <A HREF = "http://lammps.sandia.gov/authors.html">the
|
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developers</A> that they add to
|
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LAMMPS, especially if you think they will be of interest to other
|
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users. If they are broadly useful we may add them as core files to
|
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LAMMPS or as part of a <A HREF = "Section_start.html#start_3">standard package</A>.
|
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Else we will add them as a user-contributed file or package. Examples
|
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of user packages are in src sub-directories that start with USER. The
|
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USER-MISC package is simply a collection of (mostly) unrelated single
|
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files, which is the simplest way to have your contribution quickly
|
||||
added to the LAMMPS distribution. You can see a list of the both
|
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standard and user packages by typing "make package" in the LAMMPS src
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||||
directory.
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</P>
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<P>Note that by providing us the files to release you are agreeing to
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make them open-source, i.e. that we can release them under the terms
|
||||
of the GPL used as a license for the rest of LAMMPS. See <A HREF = "Section_intro.html#intro_4">Section
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||||
<P>Note that by providing us the files to release, you are agreeing to
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make them open-source, i.e. we can release them under the terms of the
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GPL used as a license for the rest of LAMMPS. See <A HREF = "Section_intro.html#intro_4">Section
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1.4</A> for details.
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</P>
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<P>With user packages and files, all we are really providing (aside from
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the fame and fortune that accompanies having your name in the source
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code and on the <A HREF = "http://lammps.sandia.gov/authors.html">Authors page</A>
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||||
of the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW site</A>), is a means for you to distribute your
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work to the LAMMPS user community and a mechanism for others to easily
|
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try out your new feature. This may help you find bugs or make contact
|
||||
with new collaborators. Note that you're also implicitly agreeing to
|
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support your code which means answer questions, fix bugs, and maintain
|
||||
it if LAMMPS changes.
|
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work to the LAMMPS user community, and a mechanism for others to
|
||||
easily try out your new feature. This may help you find bugs or make
|
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contact with new collaborators. Note that you're also implicitly
|
||||
agreeing to support your code which means answer questions, fix bugs,
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and maintain it if LAMMPS changes in some way that breaks it (an
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unusual event).
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</P>
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<P>The previous sections of this doc page describe how to add new
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features of various kinds to LAMMPS. Packages are simply collections
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of one or more new class files which are invoked as a new "style"
|
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within a LAMMPS input script. If designed correctly, these additions
|
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typically do not require changes to the main core of LAMMPS; they are
|
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simply add-on files. If you think your new feature requires
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non-trivial changes in core LAMMPS files, you'll need to <A HREF = "http://lammps.sandia.gov/authors.html">communicate
|
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with the developers</A>, since we
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may or may not want to make those changes. An example of a trivial
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change is making a parent-class method "virtual" when you derive a new
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child class from it.
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<P>The previous sections of this doc page describe how to add new "style"
|
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files of various kinds to LAMMPS. Packages are simply collections of
|
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one or more new class files which are invoked as a new style within a
|
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LAMMPS input script. If designed correctly, these additions typically
|
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do not require changes to the main core of LAMMPS; they are simply
|
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add-on files. If you think your new feature requires non-trivial
|
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changes in core LAMMPS files, you'll need to <A HREF = "http://lammps.sandia.gov/authors.html">communicate with the
|
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developers</A>, since we may or may
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not want to make those changes. An example of a trivial change is
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making a parent-class method "virtual" when you derive a new child
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class from it.
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</P>
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<P>Here is what you need to do to submit a user package or single file
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for our consideration. Following these steps will save time for both
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you and us. See existing package files for examples.
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<P>Here are the steps you need to follow to submit a single file or user
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package for our consideration. Following these steps will save both
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you and us time. See existing files in packages in the src dir for
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examples.
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</P>
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<UL><LI>All source files you provide must compile with the most current
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version of LAMMPS.
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@ -723,45 +726,47 @@ style you are adding to LAMMPS. This will be one file for a
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single-file feature. For a package, it might be several files. These
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are simple text files which we auto-convert to HTML. Thus they must
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be in the same format as other *.txt files in the lammps/doc directory
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for similar commands and styles. As appropriate, the text files can
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includelinks to equations (see doc/Eqs/*.tex for examples, we
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auto-create the associated JPG files), or figures (see doc/JPG for
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examples), or even additional PDF files with further details (see
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doc/PDF for examples). The doc page should also include literature
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citations; see the bottom of doc/fix_nh.txt for examples and the
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earlier part of the same file for examples of how to format the cite.
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The "Restrictions" section of the doc page should indicate that your
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command is only available if LAMMPS is built with the appropriate
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USER-MISC or USER-FOO package. See other user package doc files for
|
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an example of how to do this. The txt2html tool we use to do the
|
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conversion can be downloaded from <A HREF = "http://www.sandia.gov/~sjplimp/download.html">this
|
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for similar commands and styles; use one or more of them as a starting
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point. As appropriate, the text files can include links to equations
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(see doc/Eqs/*.tex for examples, we auto-create the associated JPG
|
||||
files), or figures (see doc/JPG for examples), or even additional PDF
|
||||
files with further details (see doc/PDF for examples). The doc page
|
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should also include literature citations as appropriate; see the
|
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bottom of doc/fix_nh.txt for examples and the earlier part of the same
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file for how to format the cite itself. The "Restrictions" section of
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the doc page should indicate that your command is only available if
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LAMMPS is built with the appropriate USER-MISC or USER-FOO package.
|
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See other user package doc files for examples of how to do this. The
|
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txt2html tool we use to convert to HTML can be downloaded from <A HREF = "http://www.sandia.gov/~sjplimp/download.html">this
|
||||
site</A>, so you can perform
|
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the HTML conversion yourself to proofread your doc page.
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|
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<LI>For a new package (or even a single command) you can include one or
|
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more example scripts. These should run in no more than 1 minute, even
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on a single processor, and not require large data files as input. See
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directories under examples/USER for examples of user-provided input
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scripts for their packages.
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directories under examples/USER for examples of input scripts other
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users provided for their packages.
|
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<LI>If there is a paper of yours describing your feature (either the
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algorithm/science behind the feature itself, or its implementation in
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LAMMPS), you can add the citation to the *.cpp source file. See
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src/USER-EFF/atom_vec_electron.cpp for an example. A LaTeX citation
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is stored in a variable at the top of the file and a single line of
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code that references the variable is added to the constructor of the
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class. This will cause LAMMPS to output the citation to a log.cite
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file and issue a prompt to examine the file, whenever a user inovkes
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your feature from their input script. Note that you should only use
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this for a paper you or your group authored. Adding a cite in the
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code for a paper by Nose and Hoover if you write a fix that implements
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their integrator is not the intended usage. That kind of citation
|
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should just be in the doc page you provide.
|
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algorithm/science behind the feature itself, or its initial usage, or
|
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its implementation in LAMMPS), you can add the citation to the *.cpp
|
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source file. See src/USER-EFF/atom_vec_electron.cpp for an example.
|
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A LaTeX citation is stored in a variable at the top of the file and a
|
||||
single line of code that references the variable is added to the
|
||||
constructor of the class. Whenever a user invokes your feature from
|
||||
their input script, this will cause LAMMPS to output the citation to a
|
||||
log.cite file and prompt the user to examine the file. Note that you
|
||||
should only use this for a paper you or your group authored.
|
||||
E.g. adding a cite in the code for a paper by Nose and Hoover if you
|
||||
write a fix that implements their integrator is not the intended
|
||||
usage. That kind of citation should just be in the doc page you
|
||||
provide.
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</UL>
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<P>Finally, as a general rule-of-thumb, the more clear and
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self-explanatory you make your doc and README files, and the easier
|
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you make it for people to get started, e.g. by providing example
|
||||
scripts, the more likely it is that users will try your new feature.
|
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scripts, the more likely it is that users will try out your new
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feature.
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</P>
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<HR>
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|
|
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|
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@ -609,48 +609,51 @@ then be accessed by variables) was discussed
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|||
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10.15 Submitting new features for inclusion in LAMMPS :link(mod_15),h4
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|
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We encourage users to submit new features that they add to LAMMPS to
|
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"the developers"_http://lammps.sandia.gov/authors.html, especially if
|
||||
you think the features will be of interest to other users. If they
|
||||
are broadly useful we may add them as core files to LAMMPS or as part
|
||||
of a "standard package"_Section_start.html#start_3. Else we will add
|
||||
them as a user-contributed package or file. Examples of user packages
|
||||
are in src sub-directories that start with USER. The USER-MISC
|
||||
package is simply a collection of (mostly) unrelated single files,
|
||||
which is the simplest way to have your contribution quickly added to
|
||||
the LAMMPS distribution. You can see a list of the both standard and
|
||||
user packages by typing "make package" in the LAMMPS src directory.
|
||||
We encourage users to submit new features to "the
|
||||
developers"_http://lammps.sandia.gov/authors.html that they add to
|
||||
LAMMPS, especially if you think they will be of interest to other
|
||||
users. If they are broadly useful we may add them as core files to
|
||||
LAMMPS or as part of a "standard package"_Section_start.html#start_3.
|
||||
Else we will add them as a user-contributed file or package. Examples
|
||||
of user packages are in src sub-directories that start with USER. The
|
||||
USER-MISC package is simply a collection of (mostly) unrelated single
|
||||
files, which is the simplest way to have your contribution quickly
|
||||
added to the LAMMPS distribution. You can see a list of the both
|
||||
standard and user packages by typing "make package" in the LAMMPS src
|
||||
directory.
|
||||
|
||||
Note that by providing us the files to release you are agreeing to
|
||||
make them open-source, i.e. that we can release them under the terms
|
||||
of the GPL used as a license for the rest of LAMMPS. See "Section
|
||||
Note that by providing us the files to release, you are agreeing to
|
||||
make them open-source, i.e. we can release them under the terms of the
|
||||
GPL used as a license for the rest of LAMMPS. See "Section
|
||||
1.4"_Section_intro.html#intro_4 for details.
|
||||
|
||||
With user packages and files, all we are really providing (aside from
|
||||
the fame and fortune that accompanies having your name in the source
|
||||
code and on the "Authors page"_http://lammps.sandia.gov/authors.html
|
||||
of the "LAMMPS WWW site"_lws), is a means for you to distribute your
|
||||
work to the LAMMPS user community and a mechanism for others to easily
|
||||
try out your new feature. This may help you find bugs or make contact
|
||||
with new collaborators. Note that you're also implicitly agreeing to
|
||||
support your code which means answer questions, fix bugs, and maintain
|
||||
it if LAMMPS changes.
|
||||
work to the LAMMPS user community, and a mechanism for others to
|
||||
easily try out your new feature. This may help you find bugs or make
|
||||
contact with new collaborators. Note that you're also implicitly
|
||||
agreeing to support your code which means answer questions, fix bugs,
|
||||
and maintain it if LAMMPS changes in some way that breaks it (an
|
||||
unusual event).
|
||||
|
||||
The previous sections of this doc page describe how to add new
|
||||
features of various kinds to LAMMPS. Packages are simply collections
|
||||
of one or more new class files which are invoked as a new "style"
|
||||
within a LAMMPS input script. If designed correctly, these additions
|
||||
typically do not require changes to the main core of LAMMPS; they are
|
||||
simply add-on files. If you think your new feature requires
|
||||
non-trivial changes in core LAMMPS files, you'll need to "communicate
|
||||
with the developers"_http://lammps.sandia.gov/authors.html, since we
|
||||
may or may not want to make those changes. An example of a trivial
|
||||
change is making a parent-class method "virtual" when you derive a new
|
||||
child class from it.
|
||||
The previous sections of this doc page describe how to add new "style"
|
||||
files of various kinds to LAMMPS. Packages are simply collections of
|
||||
one or more new class files which are invoked as a new style within a
|
||||
LAMMPS input script. If designed correctly, these additions typically
|
||||
do not require changes to the main core of LAMMPS; they are simply
|
||||
add-on files. If you think your new feature requires non-trivial
|
||||
changes in core LAMMPS files, you'll need to "communicate with the
|
||||
developers"_http://lammps.sandia.gov/authors.html, since we may or may
|
||||
not want to make those changes. An example of a trivial change is
|
||||
making a parent-class method "virtual" when you derive a new child
|
||||
class from it.
|
||||
|
||||
Here is what you need to do to submit a user package or single file
|
||||
for our consideration. Following these steps will save time for both
|
||||
you and us. See existing package files for examples.
|
||||
Here are the steps you need to follow to submit a single file or user
|
||||
package for our consideration. Following these steps will save both
|
||||
you and us time. See existing files in packages in the src dir for
|
||||
examples.
|
||||
|
||||
All source files you provide must compile with the most current
|
||||
version of LAMMPS. :ulb,l
|
||||
|
|
@ -697,45 +700,47 @@ style you are adding to LAMMPS. This will be one file for a
|
|||
single-file feature. For a package, it might be several files. These
|
||||
are simple text files which we auto-convert to HTML. Thus they must
|
||||
be in the same format as other *.txt files in the lammps/doc directory
|
||||
for similar commands and styles. As appropriate, the text files can
|
||||
includelinks to equations (see doc/Eqs/*.tex for examples, we
|
||||
auto-create the associated JPG files), or figures (see doc/JPG for
|
||||
examples), or even additional PDF files with further details (see
|
||||
doc/PDF for examples). The doc page should also include literature
|
||||
citations; see the bottom of doc/fix_nh.txt for examples and the
|
||||
earlier part of the same file for examples of how to format the cite.
|
||||
The "Restrictions" section of the doc page should indicate that your
|
||||
command is only available if LAMMPS is built with the appropriate
|
||||
USER-MISC or USER-FOO package. See other user package doc files for
|
||||
an example of how to do this. The txt2html tool we use to do the
|
||||
conversion can be downloaded from "this
|
||||
for similar commands and styles; use one or more of them as a starting
|
||||
point. As appropriate, the text files can include links to equations
|
||||
(see doc/Eqs/*.tex for examples, we auto-create the associated JPG
|
||||
files), or figures (see doc/JPG for examples), or even additional PDF
|
||||
files with further details (see doc/PDF for examples). The doc page
|
||||
should also include literature citations as appropriate; see the
|
||||
bottom of doc/fix_nh.txt for examples and the earlier part of the same
|
||||
file for how to format the cite itself. The "Restrictions" section of
|
||||
the doc page should indicate that your command is only available if
|
||||
LAMMPS is built with the appropriate USER-MISC or USER-FOO package.
|
||||
See other user package doc files for examples of how to do this. The
|
||||
txt2html tool we use to convert to HTML can be downloaded from "this
|
||||
site"_http://www.sandia.gov/~sjplimp/download.html, so you can perform
|
||||
the HTML conversion yourself to proofread your doc page. :l
|
||||
|
||||
For a new package (or even a single command) you can include one or
|
||||
more example scripts. These should run in no more than 1 minute, even
|
||||
on a single processor, and not require large data files as input. See
|
||||
directories under examples/USER for examples of user-provided input
|
||||
scripts for their packages. :l
|
||||
directories under examples/USER for examples of input scripts other
|
||||
users provided for their packages. :l
|
||||
|
||||
If there is a paper of yours describing your feature (either the
|
||||
algorithm/science behind the feature itself, or its implementation in
|
||||
LAMMPS), you can add the citation to the *.cpp source file. See
|
||||
src/USER-EFF/atom_vec_electron.cpp for an example. A LaTeX citation
|
||||
is stored in a variable at the top of the file and a single line of
|
||||
code that references the variable is added to the constructor of the
|
||||
class. This will cause LAMMPS to output the citation to a log.cite
|
||||
file and issue a prompt to examine the file, whenever a user inovkes
|
||||
your feature from their input script. Note that you should only use
|
||||
this for a paper you or your group authored. Adding a cite in the
|
||||
code for a paper by Nose and Hoover if you write a fix that implements
|
||||
their integrator is not the intended usage. That kind of citation
|
||||
should just be in the doc page you provide. :l,ule
|
||||
algorithm/science behind the feature itself, or its initial usage, or
|
||||
its implementation in LAMMPS), you can add the citation to the *.cpp
|
||||
source file. See src/USER-EFF/atom_vec_electron.cpp for an example.
|
||||
A LaTeX citation is stored in a variable at the top of the file and a
|
||||
single line of code that references the variable is added to the
|
||||
constructor of the class. Whenever a user invokes your feature from
|
||||
their input script, this will cause LAMMPS to output the citation to a
|
||||
log.cite file and prompt the user to examine the file. Note that you
|
||||
should only use this for a paper you or your group authored.
|
||||
E.g. adding a cite in the code for a paper by Nose and Hoover if you
|
||||
write a fix that implements their integrator is not the intended
|
||||
usage. That kind of citation should just be in the doc page you
|
||||
provide. :l,ule
|
||||
|
||||
Finally, as a general rule-of-thumb, the more clear and
|
||||
self-explanatory you make your doc and README files, and the easier
|
||||
you make it for people to get started, e.g. by providing example
|
||||
scripts, the more likely it is that users will try your new feature.
|
||||
scripts, the more likely it is that users will try out your new
|
||||
feature.
|
||||
|
||||
:line
|
||||
:line
|
||||
|
|
|
|||
Loading…
Reference in New Issue