replace dir with directory where appropriate

This commit is contained in:
Axel Kohlmeyer
2020-02-21 15:08:18 -05:00
parent c144918441
commit bf3e7237c3
12 changed files with 92 additions and 90 deletions

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@ -242,4 +242,4 @@ Type "make package-overwrite" to overwrite files in the package
sub-directories with src files. sub-directories with src files.
Type "make package-diff" to list all differences between pairs of Type "make package-diff" to list all differences between pairs of
files in both the src dir and a package dir. files in both the source directory and the package directory.

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@ -307,7 +307,7 @@ As with CMake, you do not need to set JPG\_INC or JPG\_PATH, if make can
find the graphics header and library files. You must specify JPG\_LIB find the graphics header and library files. You must specify JPG\_LIB
with a list of graphics libraries to include in the link. You must with a list of graphics libraries to include in the link. You must
insure ffmpeg is in a directory where LAMMPS can find it at runtime, insure ffmpeg is in a directory where LAMMPS can find it at runtime,
i.e. a dir in your PATH environment variable. that is a directory in your PATH environment variable.
**CMake and make info**\ : **CMake and make info**\ :

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@ -5,7 +5,7 @@ These doc pages describe how to perform various tasks with LAMMPS,
both for users and developers. The both for users and developers. The
`glossary <http://lammps.sandia.gov>`_ website page also lists MD `glossary <http://lammps.sandia.gov>`_ website page also lists MD
terminology with links to corresponding LAMMPS manual pages. The terminology with links to corresponding LAMMPS manual pages. The
example input scripts included in the examples dir of the LAMMPS example input scripts included in the examples directory of the LAMMPS
distribution and highlighted on the :doc:`Examples <Examples>` doc page distribution and highlighted on the :doc:`Examples <Examples>` doc page
also show how to setup and run various kinds of simulations. also show how to setup and run various kinds of simulations.

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@ -97,7 +97,7 @@ client or server code:
* examples/COUPLE/lammps\_nwchem * examples/COUPLE/lammps\_nwchem
* examples/COUPLE/lammps\_vasp * examples/COUPLE/lammps\_vasp
The examples/message dir couples a client instance of LAMMPS to a The examples/message directory couples a client instance of LAMMPS to a
server instance of LAMMPS. server instance of LAMMPS.
The files in the *lammps\_mc* folder show how to couple LAMMPS as The files in the *lammps\_mc* folder show how to couple LAMMPS as

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@ -1,5 +1,5 @@
Download source via Git Download the LAMMPS source with Git
======================= ===================================
All LAMMPS development is coordinated through the "LAMMPS GitHub All LAMMPS development is coordinated through the "LAMMPS GitHub
site". If you clone the LAMMPS repository onto your local machine, it site". If you clone the LAMMPS repository onto your local machine, it
@ -16,13 +16,12 @@ the public Git server for LAMMPS.
.. warning:: .. warning::
As of Oct 2016, the official home of public LAMMPS As of October 2016, the official home of public LAMMPS development is
development is on GitHub. The previously advertised LAMMPS git on GitHub. The previously advertised LAMMPS git repositories on
repositories on git.lammps.org and bitbucket.org are now deprecated, git.lammps.org and bitbucket.org are now deprecated, may not be
may not be up-to-date, and may go away at any time. up-to-date, and may go away at any time.
.. _git: http://git-scm.com
.. _git: https://git-scm.com
You can follow LAMMPS development on 3 different Git branches: You can follow LAMMPS development on 3 different Git branches:
@ -107,15 +106,15 @@ after a patch has been installed.
If you wish to edit/change a src file that is from a If you wish to edit/change a src file that is from a
package, you should edit the version of the file inside the package package, you should edit the version of the file inside the package
sub-directory with src, then re-install the package. The version in sub-directory with src, then re-install the package. The version in
the src dir is merely a copy and will be wiped out if you type "make the source directory is merely a copy and will be wiped out if you type "make
package-update". package-update".
.. warning:: .. warning::
The GitHub servers support both the "git://" and The GitHub servers support both the "git://" and
"https://" access protocols for anonymous read-only access. If you "https://" access protocols for anonymous read-only access. If you
have a correspondingly configured GitHub account, you may also use SSH have a correspondingly configured GitHub account, you may also use
with "git@github.com:/lammps/lammps.git". passwordless SSH access with the URL "git@github.com:lammps/lammps.git".
The LAMMPS GitHub project is managed by Christoph Junghans (LANL, The LAMMPS GitHub project is managed by Christoph Junghans (LANL,
junghans at lanl.gov), Axel Kohlmeyer (Temple U, akohlmey at junghans at lanl.gov), Axel Kohlmeyer (Temple U, akohlmey at

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@ -56,8 +56,8 @@ up to date.
.. warning:: .. warning::
If you wish to edit/change a src file that is from a If you wish to edit/change a source file that is part of a package,
package, you should edit the version of the file inside the package you should edit the version of the file inside the package folder in
sub-dir of src, then re-install the package. The version in the src src, and then re-install or update the package. The version in the
dir is merely a copy and will be wiped out if you type "make src directory is merely a copy and will be wiped out when you type
package-update". "make package-update".

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@ -85,10 +85,10 @@ after a patch has been installed.
.. warning:: .. warning::
If you wish to edit/change a src file that is from a If you wish to edit/change a source file that is from a package, you
package, you should edit the version of the file inside the package should edit the version of the file inside the package sub-directory
sub-directory with src, then re-install the package. The version in with src, then re-install the package. The version in the src
the src dir is merely a copy and will be wiped out if you type "make directory is merely a copy and will be wiped out if you type "make
package-update". package-update".
The LAMMPS GitHub project is managed by Christoph Junghans (LANL, The LAMMPS GitHub project is managed by Christoph Junghans (LANL,

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@ -22,25 +22,27 @@ If you downloaded LAMMPS from the public SVN or Git repositories, then
the HTML and PDF files are not included. Instead you need to create the HTML and PDF files are not included. Instead you need to create
them, in one of two ways: them, in one of two ways:
a. You can "fetch" the current HTML and PDF files from the LAMMPS web site. a. You can "fetch" the current HTML and PDF files from the LAMMPS web
Just type "make fetch". This should create a html\_www dir and site. Just type "make fetch". This should download a html\_www
Manual\_www.pdf/Developer\_www.pdf files. Note that if new LAMMPS features directory and Manual\_www.pdf/Developer\_www.pdf files. Note that if
have been added more recently than the date of your version, the fetched new LAMMPS features have been added more recently than the date of
documentation will include those changes (but your source code will not, unless your LAMMPS version, the fetched documentation will include those
you update your local repository). changes (but your source code will not, unless you update your local
repository).
b. You can build the HTML and PDF files yourself, by typing "make b. You can build the HTML and PDF files yourself, by typing "make html"
html" followed by "make pdf". This requires various tools including followed by "make pdf". This requires various tools including
Sphinx, which the build process will attempt to download and install Sphinx, which the build process will attempt to download and install
into a virtual environment in the folder doc/docenv, if not already automatically into a virtual environment in the folder doc/docenv, if
available. See more details below. To generate the PDF version of not already available. See more details below. To generate the PDF
the manual, additionally PDFLaTeX and several LaTeX packages are required. version of the manual, additionally the PDFLaTeX software and several
LaTeX packages are required.
---------- ----------
The generation of all documentation is managed by the Makefile in The generation of all documentation is managed by the Makefile in
the doc dir. the doc directory.
.. code-block:: bash .. code-block:: bash
@ -60,7 +62,6 @@ the doc dir.
make style_check # check for complete and consistent style lists make style_check # check for complete and consistent style lists
make spelling # spell-check the manual make spelling # spell-check the manual
---------- ----------
@ -127,11 +128,14 @@ Installing prerequisites for epub build
ePUB ePUB
---- ----
Same as for HTML. This uses the same tools and configuration Same as for HTML. This uses mostly the same tools and configuration
files as the HTML tree. files as the HTML tree. In addition it uses LaTeX to convert embedded
math expressions transparently into embedded images.
For converting the generated ePUB file to a MOBI format file For converting the generated ePUB file to a MOBI format file
(for e-book readers like Kindle, that cannot read ePUB), you (for e-book readers, like Kindle, that cannot read ePUB), you
also need to have the 'ebook-convert' tool from the "calibre" also need to have the 'ebook-convert' tool from the "calibre"
software installed. `http://calibre-ebook.com/ <http://calibre-ebook.com/>`_ software installed. `http://calibre-ebook.com/ <http://calibre-ebook.com/>`_
You first create the ePUB file and then convert it with 'make mobi' You first create the ePUB file and then convert it with 'make mobi'
On the Kindle readers in particular, you also have support for
PDF files, so you could download and view the PDF version as an alternative.

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@ -77,15 +77,16 @@ one or more new class files which are invoked as a new style within a
LAMMPS input script. If designed correctly, these additions typically LAMMPS input script. If designed correctly, these additions typically
do not require changes to the main core of LAMMPS; they are simply 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 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 changes in core LAMMPS files, you should `communicate with the
not want to make those changes. An example of a trivial change is developers <http://lammps.sandia.gov/authors.html>`_, since we may or
making a parent-class method "virtual" when you derive a new child may not want to include those changes for some reason. An example of a
class from it. trivial change is making a parent-class method "virtual" when you derive
a new child class from it.
Here is a checklist of steps you need to follow to submit a single file Here is a checklist of steps you need to follow to submit a single file
or user package for our consideration. Following these steps will save 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 both you and us time. Please have a look at the existing files in
examples. If you are uncertain, please ask. packages in the src directory for examples. If you are uncertain, please ask.
* All source files you provide must compile with the most current * All source files you provide must compile with the most current
version of LAMMPS with multiple configurations. In particular you version of LAMMPS with multiple configurations. In particular you
@ -146,41 +147,39 @@ examples. If you are uncertain, please ask.
would be nice for developers as well as users who try to read your would be nice for developers as well as users who try to read your
code. code.
* You **must** also create a **documentation** file for each new command or * You **must** also create a **documentation** file for each new command
style you are adding to LAMMPS. For simplicity and convenience, the or style you are adding to LAMMPS. For simplicity and convenience, the
documentation of groups of closely related commands or styles may be documentation of groups of closely related commands or styles may be
combined into a single file. This will be one file for a single-file combined into a single file. This will be one file for a single-file
feature. For a package, it might be several files. These are text feature. For a package, it might be several files. These are text
files with a .rst extension using the files with a .rst extension using the `reStructuredText <rst_>`_
`reStructuredText <rst_>`_ markup language, that are then converted to HTML markup language, that are then converted to HTML and PDF using the
and PDF using the `Sphinx <sphinx_>`_ documentation `Sphinx <sphinx_>`_ documentation generator tool. Running Sphinx with
generator tool. Running Sphinx with the included configuration the included configuration requires Python 3.x. Configuration
requires Python 3.x. Configuration settings and custom extensions for this conversion are included in the
settings and custom extensions for this conversion are included in source distribution, and missing python packages will be transparently
the source distribution, and missing python packages will be downloaded into a virtual environment via pip. Thus, if your local
transparently downloaded into a virtual environment via pip. Thus, system is missing required packages, you need access to the
if your local system is missing required packages, you need access internet. The translation can be as simple as doing "make html pdf" in
to the internet. The translation can be as simple as doing the doc folder. As appropriate, the text files can include inline
"make html pdf" in the doc folder. mathematical expression or figures (see doc/JPG for examples).
As appropriate, the text files can include inline mathematical Additional PDF files with further details (see doc/PDF for examples)
expression or figures (see doc/JPG for examples). Additional PDF may also be included. The doc page should also include literature
files with further details (see doc/PDF for examples) may also be citations as appropriate; see the bottom of doc/fix\_nh.rst for
included. The doc page should also include literature citations as examples and the earlier part of the same file for how to format the
appropriate; see the bottom of doc/fix\_nh.rst for examples and cite itself. Citation labels must be unique across all .rst files.
the earlier part of the same file for how to format the cite itself. The "Restrictions" section of the doc page should indicate if your
Citation labels must be unique across all .rst files. command is only available if LAMMPS is built with the appropriate
The "Restrictions" section of the doc page should indicate if USER-MISC or USER-FOO package. See other user package doc files for
your command is only available if LAMMPS is built with the examples of how to do this. Please run at least "make html" and "make
appropriate USER-MISC or USER-FOO package. spelling" and carefully inspect and proofread the resulting HTML
See other user package doc files for examples of how to do this. format doc page before submitting your code. Upon submission of a
Please run at least "make html" and carefully inspect and proofread pull request, checks for error free completion of the HTML and PDF
the resulting HTML format doc page before submitting your code. build will be performed and also a spell check, a check for correct
Upon submission of a pull request, checks for error free completion anchors and labels, and a check for completeness of references all
of the HTML and PDF build will be performed and also a spell check, styles in their corresponding tables and lists is run. In case the
a check for correct anchors and labels, and a check for completeness spell check reports false positives they can be added to the file
of references all styles in their corresponding tables and lists is doc/utils/sphinx-config/false_positives.txt
run. In case the spell check reports false positives they can be
added to the file doc/utils/sphinx-config/false_positives.txt
* For a new package (or even a single command) you should include one or * For a new package (or even a single command) you should include one or
more example scripts demonstrating its use. These should run in no more example scripts demonstrating its use. These should run in no

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@ -10,15 +10,15 @@ computations are written in vanilla C-style code and operate on simple
C-style data structures (vectors and arrays). C-style data structures (vectors and arrays).
Most of the new features described on the :doc:`Modify <Modify>` doc Most of the new features described on the :doc:`Modify <Modify>` doc
page require you to write a new C++ derived class (except for page require you to write a new C++ derived class (except for exceptions
exceptions described below, where you can make small edits to existing described below, where you can make small edits to existing files).
files). Creating a new class requires 2 files, a source code file Creating a new class requires 2 files, a source code file (\*.cpp) and a
(\*.cpp) and a header file (\*.h). The derived class must provide header file (\*.h). The derived class must provide certain methods to
certain methods to work as a new option. Depending on how different work as a new option. Depending on how different your new feature is
your new feature is compared to existing features, you can either compared to existing features, you can either derive from the base class
derive from the base class itself, or from a derived class that itself, or from a derived class that already exists. Enabling LAMMPS to
already exists. Enabling LAMMPS to invoke the new class is as simple invoke the new class is as simple as putting the two source files in the
as putting the two source files in the src dir and re-building LAMMPS. src directory and re-building LAMMPS.
The advantage of C++ and its object-orientation is that all the code 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 and variables needed to define the new feature are in the 2 files you

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@ -61,7 +61,7 @@ specify boundary conditions or force constraints in the usual way,
which will be added to the per-atom forces returned by the server which will be added to the per-atom forces returned by the server
code. code.
See the examples/message dir for example scripts where LAMMPS is both See the examples/message directory for example scripts where LAMMPS is both
the "client" and/or "server" code for this kind of client/server MD the "client" and/or "server" code for this kind of client/server MD
simulation. The examples/message/README file explains how to launch simulation. The examples/message/README file explains how to launch
LAMMPS and another code in tandem to perform a coupled simulation. LAMMPS and another code in tandem to perform a coupled simulation.

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@ -114,8 +114,8 @@ LAMMPS atom types:
See the pair\_coeff doc page for alternate ways to specify the path for See the pair\_coeff doc page for alternate ways to specify the path for
the potential file. Several files for polymorphic potentials are the potential file. Several files for polymorphic potentials are
included in the potentials dir of the LAMMPS distribution. They have a included in the potentials directory of the LAMMPS distribution. They
"poly" suffix. have a "poly" suffix.
As an example, imagine the SiC\_tersoff.polymorphic file has tabulated As an example, imagine the SiC\_tersoff.polymorphic file has tabulated
functions for Si-C tersoff potential. If your LAMMPS simulation has 4 functions for Si-C tersoff potential. If your LAMMPS simulation has 4