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16 changes: 16 additions & 0 deletions doc/src/404.rst
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@@ -0,0 +1,16 @@
:orphan:

404 - LAMMPS Document Not Found
===============================

.. figure:: JPG/lammps-lost-logo-library.jpg
:figwidth: 50%
:alt: LAMMPS logo cubes scattered around a maze-like library with staircases going in all directions

*.*

**We are sorry.**

We have looked everywhere, but the page you asked for isn't
anywhere in this LAMMPS manual. It may be in reference to a command that
has been renamed or removed, or the link was mistyped. Please try again.
70 changes: 41 additions & 29 deletions doc/src/Build_diskspace.rst
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Expand Up @@ -14,32 +14,44 @@ environments with restricted disk space capacity it may be needed to
reduce the storage requirements. Here are some suggestions:

- Create a so-called shallow repository by cloning only the last commit
instead of the full project history by using ``git clone git@github.com:lammps/lammps --depth=1 --branch=develop``.
This reduces the downloaded size to about half. With ``--depth=1`` it is not possible to check out different
versions/branches of LAMMPS, using ``--depth=1000`` will make multiple recent versions available at little
extra storage needs (the entire git history had nearly 30,000 commits in fall 2021).

- Download a tar archive from either the `download section on the LAMMPS homepage <https://www.lammps.org/download.html>`_
or from the `LAMMPS releases page on GitHub <https://github.com/lammps/lammps/releases>`_ these will not
contain the git history at all.

- Build LAMMPS without the debug flag (remove ``-g`` from the machine makefile or use ``-DCMAKE_BUILD_TYPE=Release``)
or use the ``strip`` command on the LAMMPS executable when no more debugging would be needed. The strip command
may also be applied to the LAMMPS shared library. The static library may be deleted entirely.

- Delete compiled object files and libraries after copying the LAMMPS executable to a permanent location.
When using the traditional build process, one may use ``make clean-<machine>`` or ``make clean-all``
to delete object files in the src folder. For CMake based builds, one may use ``make clean`` or just
delete the entire build folder.

- The folders containing the documentation tree (doc), the examples (examples) are not needed to build and
run LAMMPS and can be safely deleted. Some files in the potentials folder are large and may be deleted,
if not needed. The largest of those files (occupying about 120 MBytes combined) will only be downloaded on
demand, when the corresponding package is installed.

- When using the CMake build procedure, the compilation can be done on a (local) scratch storage that will not
count toward the quota. A local scratch file system may offer the additional benefit of speeding up creating
object files and linking with libraries compared to a networked file system. Also with CMake (and unlike with
the traditional make) it is possible to compile LAMMPS executables with different settings and packages included
from the same source tree since all the configuration information is stored in the build folder. So it is
not necessary to have multiple copies of LAMMPS.
instead of the full project history by using ``git clone
git@github.com:lammps/lammps --depth=1 --branch=develop``. This
reduces the downloaded size to about half. With ``--depth=1`` it is
not possible to check out different versions/branches of LAMMPS, using
``--depth=1000`` will make multiple recent versions available at
little extra storage needs (the entire git history had nearly 30,000
commits in fall 2021).

- Download a tar archive from either the `download section on the LAMMPS
homepage <https://www.lammps.org/download/>`_ or from the `LAMMPS
releases page on GitHub <https://github.com/lammps/lammps/releases>`_
these will not contain the git history at all.

- Build LAMMPS without the debug flag (remove ``-g`` from the machine
makefile or use ``-DCMAKE_BUILD_TYPE=Release``) or use the ``strip``
command on the LAMMPS executable when no more debugging would be
needed. The strip command may also be applied to the LAMMPS shared
library. The static library may be deleted entirely.

- Delete compiled object files and libraries after copying the LAMMPS
executable to a permanent location. When using the traditional build
process, one may use ``make clean-<machine>`` or ``make clean-all`` to
delete object files in the src folder. For CMake based builds, one
may use ``make clean`` or just delete the entire build folder.

- The folders containing the documentation tree (doc), the examples
(examples) are not needed to build and run LAMMPS and can be safely
deleted. Some files in the potentials folder are large and may be
deleted, if not needed. The largest of those files (occupying about
120 MBytes combined) will only be downloaded on demand, when the
corresponding package is installed.

- When using the CMake build procedure, the compilation can be done on a
(local) scratch storage that will not count toward the quota. A local
scratch file system may offer the additional benefit of speeding up
creating object files and linking with libraries compared to a
networked file system. Also with CMake (and unlike with the
traditional make) it is possible to compile LAMMPS executables with
different settings and packages included from the same source tree
since all the configuration information is stored in the build folder.
So it is not necessary to have multiple copies of the LAMMPS sources.
8 changes: 3 additions & 5 deletions doc/src/Errors_bugs.rst
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Expand Up @@ -4,11 +4,9 @@ Reporting bugs
If you are confident that you have found a bug in LAMMPS, please follow
the steps outlined below:

* Check the `New features and bug fixes
<https://www.lammps.org/bug.html>`_ section of the `LAMMPS WWW site
<https://www.lammps.org>`_ or the
`GitHub Releases page <https://github.com/lammps/lammps/releases>`_ to
see if the bug has already been addressed in a patch release.
* Check the `GitHub Releases page
<https://github.com/lammps/lammps/releases>`_ to see if the bug has
already been addressed in a release.
* Check that your issue can be reproduced with the latest development
version of LAMMPS.
* Check the manual carefully to verify that the unexpected behavior you
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2 changes: 1 addition & 1 deletion doc/src/Errors_common.rst
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Expand Up @@ -57,7 +57,7 @@ sometimes be confusing or need additional explanations.
do, but very strictly applies the syntax as described in the
documentation. If you run into errors that LAMMPS does not catch that
you think it should flag, please send an email to the `developers
<https://www.lammps.org/authors.html>`_ or create a new topic on the
<https://www.lammps.org/about/developers/>`_ or create a new topic on the
dedicated `MatSci forum section <https://matsci.org/lammps/>`_.

- If you get an error message about an invalid command in your input
Expand Down
2 changes: 1 addition & 1 deletion doc/src/Errors_messages.rst
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Expand Up @@ -2115,7 +2115,7 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Fix orient/fcc found self twice*
The neighbor lists used by fix orient/fcc are messed up. If this
error occurs, it is likely a bug, so send an email to the
`developers <https://www.lammps.org/authors.html>`_.
`developers <https://www.lammps.org/about/developers/>`_.

*Fix peri neigh does not exist*
Somehow a fix that the pair style defines has been deleted.
Expand Down
10 changes: 5 additions & 5 deletions doc/src/Examples.rst
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Expand Up @@ -18,16 +18,16 @@ files and image files.

If you uncomment the :doc:`dump <dump>` command in the input script, a
text dump file will be produced, which can be animated by various
`visualization programs <https://www.lammps.org/viz.html>`_.
`visualization programs <https://www.lammps.org/ecosystem/visualization/>`_.

If you uncomment the :doc:`dump image <dump>` command in the input
script, and assuming you have built LAMMPS with a JPG library, JPG
snapshot images will be produced when the simulation runs. They can
be quickly post-processed into a movie using commands described on the
:doc:`dump image <dump_image>` doc page.

Animations of many of the examples can be viewed on the Movies section
of the `LAMMPS website <https://www.lammps.org/movies.html>`_.
Animations of many of the examples can be viewed on the Examples gallery section
of the `LAMMPS website <https://www.lammps.org/examples/>`_.

There are two kinds of subdirectories in the examples folder. Lower
case named directories contain one or a few simple, quick-to-run
Expand Down Expand Up @@ -195,8 +195,8 @@ Here is how you can run and visualize one of the sample problems:

Running the simulation produces the files *dump.indent* and
*log.lammps*\ . You can visualize the dump file of snapshots with a
variety of third-party tools highlighted on the
`Visualization <https://www.lammps.org/viz.html>`_ page of the LAMMPS
variety of third-party tools highlighted on the `Visualization
<https://www.lammps.org/ecosystem/visualization/>`_ page of the LAMMPS
website.

If you uncomment the :doc:`dump image <dump_image>` line(s) in the input
Expand Down
12 changes: 5 additions & 7 deletions doc/src/Howto.rst
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@@ -1,13 +1,11 @@
Howto discussions
*****************

These doc pages describe how to perform various tasks with LAMMPS,
both for users and developers. The
`glossary <https://www.lammps.org/glossary.html>`_ website page also lists MD
terminology, with links to corresponding LAMMPS manual pages. The
example input scripts included in the ``examples`` directory of the LAMMPS
source code distribution and highlighted on the :doc:`Examples` page
also show how to set up and run various kinds of simulations.
These doc pages describe how to perform various tasks with LAMMPS, both
for users and developers. The example input scripts included in the
``examples`` directory of the LAMMPS source code distribution and
highlighted on the :doc:`Examples` page also show how to set up and run
various kinds of simulations.

General howto
=============
Expand Down
2 changes: 1 addition & 1 deletion doc/src/Howto_bioFF.rst
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Expand Up @@ -240,7 +240,7 @@ converted into the ClassII-xe functional form. The conversion from
ClassII to ClassII-xe functional form requires reparameterizing the
cross-terms, which can be accomplished via the LUNAR tool, for which a
link is provided on the `Pre/Post processing
<https://www.lammps.org/prepost.html>`_ page. LUNAR can be used to
<https://www.lammps.org/ecosystem/prepost/>`_ page. LUNAR can be used to
build a model from scratch in either COMPASS or PCFF (using its
'atom_typing' and 'all2lmp' modules) and then convert that model to
COMPASS-xe or PCFF-xe (using its 'auto_morse_bond_update' module). To
Expand Down
2 changes: 1 addition & 1 deletion doc/src/Howto_bpm.rst
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Expand Up @@ -22,7 +22,7 @@ for simulations of the fragmentation of an impacted plate and the
pouring of extended, elastic bodies. See :ref:`(Clemmer) <howto-Clemmer>`
for more general information on the approach and the LAMMPS implementation.
Example movies illustrating some of these capabilities are found at
https://www.lammps.org/movies.html#bpmpackage.
https://www.lammps.org/gallery/bpmpackage/.

----------

Expand Down
15 changes: 6 additions & 9 deletions doc/src/Howto_peri.rst
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Expand Up @@ -871,15 +871,12 @@ Bugs
The user is cautioned that this code is a beta release. If you are
confident that you have found a bug in the peridynamic module, please
report it in a `GitHub Issue <https://github.com/lammps/lammps/issues>`
or send an email to the LAMMPS developers. First, check the `New
features and bug fixes <https://www.lammps.org/bug.html>`_ section of
the LAMMPS website site to see if the bug has already been reported or
fixed. If not, the most useful thing you can do for us is to isolate the
problem. Run it on the smallest number of atoms and fewest number of
processors and with the simplest input script that reproduces the
bug. In your message, describe the problem and any ideas you have as to
what is causing it or where in the code the problem might be. We'll
request your input script and data files if necessary.
or send an email to the LAMMPS developers. Run it on the smallest
number of atoms and fewest number of processors and with the simplest
input script that reproduces the bug. In your message, describe the
problem and any ideas you have as to what is causing it or where in the
code the problem might be. We'll request your input script and data
files if necessary.

Modifying and Extending the Peridynamic Module
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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2 changes: 1 addition & 1 deletion doc/src/Howto_rheo.rst
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Expand Up @@ -17,7 +17,7 @@ into distinct classes to simplify the development of new integration schemes
which can call these calculations. Additional numerical details can be found in
:ref:`(Palermo) <howto_rheo_palermo>` and :ref:`(Clemmer) <howto_rheo_clemmer>`.
Example movies illustrating some of these capabilities are found at
https://www.lammps.org/movies.html#rheopackage.
https://www.lammps.org/gallery/rheopackage/.

Note, if you simply want to run a traditional SPH simulation, the :ref:`SPH package
<PKG-SPH>` package is likely better suited for your application. It has fewer advanced
Expand Down
2 changes: 1 addition & 1 deletion doc/src/Howto_viz.rst
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Expand Up @@ -8,7 +8,7 @@ LAMMPS snapshots are created by the :doc:`dump <dump>` command, which
can create files in several formats. The native LAMMPS dump format is a
text file (see :lammps:`dump atom` or :lammps:`dump custom`) which can
be visualized by `several visualization tools
<https://www.lammps.org/viz.html>`_ for MD simulation trajectories.
<https://www.lammps.org/ecosystem/visualization/>`_ for MD simulation trajectories.
`OVITO <https://www.ovito.org>`_ and `VMD
<https://www.ks.uiuc.edu/Research/vmd/>`_ seem to be the most popular
choices among them.
Expand Down
11 changes: 6 additions & 5 deletions doc/src/Install_git.rst
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Expand Up @@ -96,11 +96,12 @@ this is as follows.
git checkout tagID

Stable versions and what tagID to use for a particular stable version
are discussed on `this page <https://www.lammps.org/bug.html#version>`_.
Note that this command will print some warnings, because in order to get
back to the latest revision and to be able to update with ``git pull``
again, you will need to do ``git checkout release`` (or
check out any other desired branch) first.
can be looked up on `GitHub releases pagee
<https://github.com/lammps/lammps/releases>`_. Note that this command
will print some warnings, because in order to get back to the latest
revision and to be able to update with ``git pull`` again, you will need
to do ``git checkout release`` (or check out any other desired branch)
first.

Once you have updated your local files with a ``git pull`` (or ``git
checkout``), you still need to re-build LAMMPS if any source files have
Expand Down
21 changes: 5 additions & 16 deletions doc/src/Install_tarball.rst
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Expand Up @@ -4,18 +4,18 @@ Download source and documentation as a tarball
You can download a current LAMMPS tarball from the `download page <download_>`_
of the `LAMMPS website <lws_>`_ or from GitHub (see below).

.. _download: https://www.lammps.org/download.html
.. _bug: https://www.lammps.org/bug.html
.. _download: https://www.lammps.org/download/
.. _older: https://download.lammps.org/tars/
.. _lws: https://www.lammps.org
.. _git: https://github.com/lammps/lammps/releases

You have two choices of tarballs, either the most recent stable release
or the most recent feature release. Stable releases occur a few times
per year, and undergo more testing before release. Also, between stable
releases bug fixes from the feature releases are back-ported and the
tarball occasionally updated. Feature releases occur every 4 to 8
weeks. The new contents in all feature releases are listed on the `bug
and feature page <bug_>`_ of the LAMMPS homepage.
weeks. The new contents in all feature releases are listed in the
`release notes <git_>`_ of the LAMMPS GitHub page.

Tarballs of older LAMMPS versions can also be downloaded from `this page
<older_>`_.
Expand All @@ -35,18 +35,7 @@ e.g. ``lammps-28Mar23``.

----------

You can also download a compressed tar or zip archives from the
You can also download the same compressed tar archives from the
"Assets" sections of the `LAMMPS GitHub releases site <git_>`_.
The file name will be lammps-<version>.zip which can be unzipped
with the following command, to create a lammps-<version> directory:

.. code-block:: bash

unzip lammps*.zip

This version corresponds to the selected LAMMPS feature or stable
release (as indicated by the matching git tag) and will only contain the
source code and no pre-built documentation.

.. _git: https://github.com/lammps/lammps/releases

7 changes: 4 additions & 3 deletions doc/src/Intro_authors.rst
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Expand Up @@ -8,7 +8,7 @@ send an email to all of them at this address: "developers at
lammps.org". General questions about LAMMPS should be posted in the
`LAMMPS forum on MatSci <https://matsci.org/lammps/>`_.

.. We need to keep this file in sync with https://www.lammps.org/authors.html
.. We need to keep this file in sync with https://www.lammps.org/about/developers/

.. raw:: latex

Expand Down Expand Up @@ -90,7 +90,7 @@ Fisher Scientific.

----------

The `Authors page <https://www.lammps.org/authors.html>`_ of the
The `Contributors page <https://www.lammps.org/about/contributors/>`_ of the
`LAMMPS website <lws_>`_ has a comprehensive list of all the individuals
who have contributed code for a new feature or command or tool to
LAMMPS.
Expand Down Expand Up @@ -119,7 +119,8 @@ general-purpose as it is without their expertise and efforts.

----------

As discussed on the `History page <https://www.lammps.org/history.html>`_ of the website, LAMMPS
As discussed on the `History page
<https://www.lammps.org/about/history/>`_ of the website, LAMMPS
originated as a cooperative project between DOE labs and industrial
partners. Folks involved in the design and testing of the original
version of LAMMPS were the following:
Expand Down
11 changes: 6 additions & 5 deletions doc/src/Intro_nonfeatures.rst
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Expand Up @@ -34,7 +34,7 @@ Here are suggestions on how to perform these tasks:
<https://github.com/akohlmey/lammps-gui/>`_.
Also, there are several external wrappers or GUI
front ends that are mentioned on the `Pre-/post-processing tools page
<https://www.lammps.org/prepost.html>`_ of the LAMMPS homepage.
<https://www.lammps.org/ecosystem/prepost/>`_ of the LAMMPS homepage.

* **Builder:** Several pre-processing tools are packaged with LAMMPS.
Some of them convert input files in formats produced by other MD codes
Expand All @@ -44,7 +44,7 @@ Here are suggestions on how to perform these tasks:
a true molecular builder that will generate complex molecular models.
See the :doc:`Tools <Tools>` page for details on tools packaged with
LAMMPS. The `Pre-/post-processing tools page
<https://www.lammps.org/prepost.html>`_ of the LAMMPS homepage
<https://www.lammps.org/ecosystem/prepost/>`_ of the LAMMPS homepage
describes a variety of third party tools for this task. Furthermore,
some internal LAMMPS commands allow reconstructing, or selectively adding
topology information, as well as provide the option to insert molecule
Expand Down Expand Up @@ -77,7 +77,7 @@ Here are suggestions on how to perform these tasks:
into other programs. See the :doc:`Tools <Tools>` page for details on
these various options.

The `Pre-/post-processing page <https://www.lammps.org/prepost.html>`_
The `Pre-/post-processing page <https://www.lammps.org/ecosystem/prepost/>`_
on the LAMMPS homepage lists some external packages for analysis of MD
simulation data, including data produced by LAMMPS.

Expand All @@ -94,8 +94,9 @@ Here are suggestions on how to perform these tasks:

For high-quality, interactive visualization, there are many excellent
and free tools available. See the `Visualization Tools
<https://www.lammps.org/viz.html>`_ page of the LAMMPS website for
visualization packages that can process LAMMPS output data.
<https://www.lammps.org/ecosystem/visualization/>`_ page of the LAMMPS
website for visualization packages that can process LAMMPS output
data.

* **Plotting:** See the next bullet about Pizza.py as well as the
:doc:`Python <Python_head>` page for examples of plotting LAMMPS
Expand Down
2 changes: 1 addition & 1 deletion doc/src/Intro_overview.rst
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Expand Up @@ -23,7 +23,7 @@ acceleration.
LAMMPS is written in C++ and currently requires a compiler that is at
least compatible with the C++-11 standard. Earlier versions were
written in F77, F90, and C++-98. See the `History page
<https://www.lammps.org/history.html>`_ of the website for details. All
<https://www.lammps.org/about/history/>`_ of the website for details. All
versions can be downloaded as source code from the `LAMMPS website
<lws_>`_.

Expand Down
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