update documentation for contributing files and building the manual to using rst files
This commit is contained in:
@ -30,10 +30,11 @@ a. You can "fetch" the current HTML and PDF files from the LAMMPS web site.
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you update your local repository).
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you update your local repository).
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b. You can build the HTML and PDF files yourself, by typing "make
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b. You can build the HTML and PDF files yourself, by typing "make
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html" followed by "make pdf". Note that the PDF make requires the
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html" followed by "make pdf". This requires various tools including
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HTML files already exist. This requires various tools including
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Sphinx, which the build process will attempt to download and install
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Sphinx, which the build process will attempt to download and install
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on your system, if not already available. See more details below.
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into a virtual environment in the folder doc/docenv, if not already
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available. See more details below. To generate the PDF version of
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the manual, additionally PDFLaTeX and several LaTeX packages are required.
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----------
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----------
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@ -56,7 +57,7 @@ the doc dir.
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make clean # remove intermediate RST files created by HTML build
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make clean # remove intermediate RST files created by HTML build
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make clean-all # remove entire build folder and any cached data
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make clean-all # remove entire build folder and any cached data
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make anchor_check # check for duplicate anchor labels
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make anchor_check # check for duplicate anchor labels
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style_check # check for complete and consistent style lists
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make style_check # check for complete and consistent style lists
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make spelling # spell-check the manual
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make spelling # spell-check the manual
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@ -92,6 +92,7 @@ examples. If you are uncertain, please ask.
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need to test compiling LAMMPS from scratch with -DLAMMPS\_BIGBIG
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need to test compiling LAMMPS from scratch with -DLAMMPS\_BIGBIG
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set in addition to the default -DLAMMPS\_SMALLBIG setting. Your code
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set in addition to the default -DLAMMPS\_SMALLBIG setting. Your code
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will need to work correctly in serial and in parallel using MPI.
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will need to work correctly in serial and in parallel using MPI.
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* For consistency with the rest of LAMMPS and especially, if you want
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* For consistency with the rest of LAMMPS and especially, if you want
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your contribution(s) to be added to main LAMMPS code or one of its
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your contribution(s) to be added to main LAMMPS code or one of its
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standard packages, it needs to be written in a style compatible with
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standard packages, it needs to be written in a style compatible with
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@ -114,12 +115,14 @@ examples. If you are uncertain, please ask.
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structures, performs its operations, and is formatted similar to other
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structures, performs its operations, and is formatted similar to other
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LAMMPS source files, including the use of the error class for error
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LAMMPS source files, including the use of the error class for error
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and warning messages.
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and warning messages.
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* If you want your contribution to be added as a user-contributed
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* If you want your contribution to be added as a user-contributed
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feature, and it's a single file (actually a \*.cpp and \*.h file) it can
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feature, and it's a single file (actually a \*.cpp and \*.h file) it can
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rapidly be added to the USER-MISC directory. Send us the one-line
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rapidly be added to the USER-MISC directory. Send us the one-line
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entry to add to the USER-MISC/README file in that dir, along with the
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entry to add to the USER-MISC/README file in that dir, along with the
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2 source files. You can do this multiple times if you wish to
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2 source files. You can do this multiple times if you wish to
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contribute several individual features.
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contribute several individual features.
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* If you want your contribution to be added as a user-contribution and
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* If you want your contribution to be added as a user-contribution and
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it is several related features, it is probably best to make it a user
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it is several related features, it is probably best to make it a user
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package directory with a name like USER-FOO. In addition to your new
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package directory with a name like USER-FOO. In addition to your new
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@ -132,7 +135,7 @@ examples. If you are uncertain, please ask.
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and Install.sh files in other USER directories as examples. Send us a
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and Install.sh files in other USER directories as examples. Send us a
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tarball of this USER-FOO directory.
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tarball of this USER-FOO directory.
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Your new source files need to have the LAMMPS copyright, GPL notice,
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* Your new source files need to have the LAMMPS copyright, GPL notice,
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and your name and email address at the top, like other
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and your name and email address at the top, like other
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user-contributed LAMMPS source files. They need to create a class
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user-contributed LAMMPS source files. They need to create a class
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that is inside the LAMMPS namespace. If the file is for one of the
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that is inside the LAMMPS namespace. If the file is for one of the
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@ -142,14 +145,15 @@ examples. If you are uncertain, please ask.
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same stylistic format and syntax as other LAMMPS files, though that
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same stylistic format and syntax as other LAMMPS files, though that
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would be nice for developers as well as users who try to read your
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would be nice for developers as well as users who try to read your
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code.
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code.
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* You **must** also create a **documentation** file for each new command or
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* You **must** also create a **documentation** file for each new command or
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style you are adding to LAMMPS. For simplicity and convenience, the
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style you are adding to LAMMPS. For simplicity and convenience, the
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documentation of groups of closely related commands or styles may be
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documentation of groups of closely related commands or styles may be
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combined into a single file. This will be one file for a single-file
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combined into a single file. This will be one file for a single-file
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feature. For a package, it might be several files. These are text
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feature. For a package, it might be several files. These are text
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files with a .rst extension using the
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files with a .rst extension using the
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:ref:`reStructuredText <https://docutils.readthedocs.io/en/sphinx-docs/user/rst/quickstart.html>`_ markup language, that are then converted to HTML
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`reStructuredText <rst_>`_ markup language, that are then converted to HTML
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and PDF using the :ref:`Sphinx <https://sphinx-doc.org>`_ documentation
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and PDF using the `Sphinx <sphinx_>`_ documentation
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generator tool. Running Sphinx with the included configuration
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generator tool. Running Sphinx with the included configuration
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requires Python 3.x. Configuration
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requires Python 3.x. Configuration
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settings and custom extensions for this conversion are included in
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settings and custom extensions for this conversion are included in
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@ -177,6 +181,7 @@ examples. If you are uncertain, please ask.
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of references all styles in their corresponding tables and lists is
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of references all styles in their corresponding tables and lists is
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run. In case the spell check reports false positives they can be
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run. In case the spell check reports false positives they can be
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added to the file doc/utils/sphinx-config/false_positives.txt
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added to the file doc/utils/sphinx-config/false_positives.txt
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* For a new package (or even a single command) you should include one or
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* For a new package (or even a single command) you should include one or
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more example scripts demonstrating its use. These should run in no
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more example scripts demonstrating its use. These should run in no
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more than a couple minutes, even on a single processor, and not require
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more than a couple minutes, even on a single processor, and not require
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@ -184,6 +189,7 @@ examples. If you are uncertain, please ask.
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examples of input scripts other users provided for their packages.
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examples of input scripts other users provided for their packages.
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These example inputs are also required for validating memory accesses
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These example inputs are also required for validating memory accesses
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and testing for memory leaks with valgrind
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and testing for memory leaks with valgrind
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* If there is a paper of yours describing your feature (either the
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* If there is a paper of yours describing your feature (either the
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algorithm/science behind the feature itself, or its initial usage, or
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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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its implementation in LAMMPS), you can add the citation to the \*.cpp
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@ -204,3 +210,6 @@ Finally, as a general rule-of-thumb, the more clear and
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self-explanatory you make your documentation and README files, and the
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self-explanatory you make your documentation and README files, and the
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easier you make it for people to get started, e.g. by providing example
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easier you make it for people to get started, e.g. by providing example
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scripts, the more likely it is that users will try out your new feature.
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scripts, the more likely it is that users will try out your new feature.
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.. _rst: https://docutils.readthedocs.io/en/sphinx-docs/user/rst/quickstart.html
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.. _sphinx: https://sphinx-doc.org
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@ -634,6 +634,7 @@ dnf
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DNi
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DNi
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Dobson
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Dobson
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Dodds
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Dodds
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docenv
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dodgerblue
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dodgerblue
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dof
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dof
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doi
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doi
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@ -2510,6 +2511,7 @@ Rr
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rRESPA
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rRESPA
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Rspace
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Rspace
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rsq
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rsq
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rst
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rstyle
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rstyle
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Rubensson
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Rubensson
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Rubia
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Rubia
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