remove redundant/obsolete link definitions
This commit is contained in:
@ -23,6 +23,3 @@ as described on the :doc:`Install <Install>` doc page.
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Build_development
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Build_development
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -432,6 +432,3 @@ wish to do this you will need to first build LAMMPS, then manually
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copy the desired LAMMPS files to the appropriate system directories.
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copy the desired LAMMPS files to the appropriate system directories.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -240,6 +240,3 @@ Instructions on how to install it on various platforms can be found
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`on this page <https://cmake.org/install/>`_.
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`on this page <https://cmake.org/install/>`_.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -115,6 +115,3 @@ These reports require GCOVR to be installed. The easiest way to do this to insta
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -1416,6 +1416,3 @@ Makefile.lammps. If none of the provided files work, you will need to
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edit the Makefile.lammps file. See lib/vtk/README for details.
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edit the Makefile.lammps file. See lib/vtk/README for details.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -86,6 +86,3 @@ Other examples in the COUPLE directory use coupling ideas discussed on
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the :doc:`Howto couple <Howto_couple>` doc page.
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the :doc:`Howto couple <Howto_couple>` doc page.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -89,6 +89,3 @@ settings may become outdated:
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make kokkos_phi # build with the KOKKOS package for KNLs
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make kokkos_phi # build with the KOKKOS package for KNLs
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -260,6 +260,3 @@ Type "make package-diff" to list all differences between pairs of
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files in both the src dir and a package dir.
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files in both the src dir and a package dir.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -490,6 +490,3 @@ e.g. to Python.
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LMP_INC = -DLAMMPS_EXCEPTIONS
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LMP_INC = -DLAMMPS_EXCEPTIONS
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -106,6 +106,3 @@ style build environment, but the LAMMPS code itself is not fully ported
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to support Visual C++. Volunteers to take on this task are welcome.
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to support Visual C++. Volunteers to take on this task are welcome.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -62,6 +62,3 @@ combination of the commands :doc:`read_restart <read_restart>` and
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convenience this conversion can also be triggered by :doc:`command line flags <Run_options>`
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convenience this conversion can also be triggered by :doc:`command line flags <Run_options>`
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -17,6 +17,3 @@ additional details for many of them.
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Errors_warnings
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Errors_warnings
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -27,6 +27,3 @@ causing the problem.
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this page needs to have GitHub issues info added
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this page needs to have GitHub issues info added
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -123,6 +123,3 @@ setting or two (usually via an environment variable) to enable
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buffering or boost the sizes of messages that can be buffered.
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buffering or boost the sizes of messages that can be buffered.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -8419,6 +8419,3 @@ keyword to allow for additional bonds to be formed
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -800,6 +800,3 @@ This will most likely cause errors in kinetic fluctuations.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -232,6 +232,3 @@ page for more info on specific USER packages.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -101,6 +101,3 @@ Packages howto
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Howto_spins
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Howto_spins
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -43,6 +43,3 @@ are for 2d models.
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commands.
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commands.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -63,6 +63,3 @@ re-define what pressure compute is used for default thermodynamic
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output.
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output.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -286,6 +286,3 @@ the PATH variable should be
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tutorials explaining Bash and Basic Unix commands (e.g., `Linux Journey <https://linuxjourney.com>`_)
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tutorials explaining Bash and Basic Unix commands (e.g., `Linux Journey <https://linuxjourney.com>`_)
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -146,6 +146,3 @@ Spellmeyer, Fox, Caldwell, Kollman, JACS 117, 5179-5197 (1995).
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(1990).
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(1990).
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -514,6 +514,3 @@ Particuology, 6, 455 (2008).
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Matter, 13, 1 (2011).
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Matter, 13, 1 (2011).
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -214,6 +214,3 @@ on the :doc:`compute chunk/spread/atom <compute_chunk_spread_atom>`
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command doc page.
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command doc page.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -159,6 +159,3 @@ the multiple executables that the mpirun command launches. In this
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example the client was colored with a 0, and the server with a 1.
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example the client was colored with a 0, and the server with a 1.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -266,6 +266,3 @@ The additional section in the date file would be formatted like this:
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6, 393-404 (1994).
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6, 393-404 (1994).
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -120,6 +120,3 @@ described on the :doc:`Howto client/server <Howto_client_server>` doc
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page.
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page.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -27,6 +27,3 @@ and thus extract D.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -100,6 +100,3 @@ rule is fulfilled. If mixing rules do not apply, the user will have
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to specify this command explicitly.
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to specify this command explicitly.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -67,6 +67,3 @@ too close, which can cause numerical issues.
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**(Lamoureux and Roux)** G. Lamoureux, B. Roux, J. Chem. Phys 119, 3025 (2003)
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**(Lamoureux and Roux)** G. Lamoureux, B. Roux, J. Chem. Phys 119, 3025 (2003)
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -537,6 +537,3 @@ NPT ensemble using Nose-Hoover thermostat:
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Let, 418, 245-249 (2006)
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Let, 418, 245-249 (2006)
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -44,6 +44,3 @@ converge and requires careful post-processing :ref:`(Shinoda) <Shinoda1>`
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**(Shinoda)** Shinoda, Shiga, and Mikami, Phys Rev B, 69, 134103 (2004).
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**(Shinoda)** Shinoda, Shiga, and Mikami, Phys Rev B, 69, 134103 (2004).
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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@ -494,6 +494,3 @@ A discussion of the LAMMPS developer GitHub workflow can be found in the file
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`doc/github-development-workflow.md <https://github.com/lammps/lammps/blob/master/doc/github-development-workflow.md>`_
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`doc/github-development-workflow.md <https://github.com/lammps/lammps/blob/master/doc/github-development-workflow.md>`_
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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@ -50,6 +50,3 @@ computations between frozen atoms by using this command:
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doc page, where 2d simulations are discussed.
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doc page, where 2d simulations are discussed.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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@ -81,6 +81,3 @@ formalism.
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(2015).
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(2015).
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.. _ld: Manual.html
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@ -247,6 +247,3 @@ assigned via the lammps\_scatter\_atoms() or lammps\_extract\_atom()
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functions.
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functions.
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@ -52,6 +52,3 @@ to the relevant fixes.
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preprint available at `arXiv:1411.3019 <http://arxiv.org/abs/1411.3019/>`_.
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preprint available at `arXiv:1411.3019 <http://arxiv.org/abs/1411.3019/>`_.
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@ -98,6 +98,3 @@ partition. When one finished, that partition would then start
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the 4th simulation, and so forth, until all 8 were completed.
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the 4th simulation, and so forth, until all 8 were completed.
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@ -55,6 +55,3 @@ using the :doc:`fix flow/gauss <fix_flow_gauss>` command.
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Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
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Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
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.. _lws: http://lammps.sandia.gov
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@ -344,6 +344,3 @@ vector input could be a column of an array.
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+--------------------------------------------------------+----------------------------------------------+-------------------------------------------+
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+--------------------------------------------------------+----------------------------------------------+-------------------------------------------+
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@ -73,6 +73,3 @@ relative core-Drude particle motion is thermostatted separately as
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well.
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well.
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@ -579,6 +579,3 @@ want to encourage people to write tutorial style IPython notebooks showcasing LA
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and maybe their latest research results.
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and maybe their latest research results.
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@ -55,6 +55,3 @@ a multi-replica simulation on more replicas than you have
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physical processors.
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physical processors.
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@ -100,6 +100,3 @@ LAMMPS the current timestep. This value is stored in restart files,
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but not in data files.
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but not in data files.
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@ -52,6 +52,3 @@ Wikipedia also has a nice article on `water models <http://en.wikipedia.org/wiki
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6269-6271 (1987).
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6269-6271 (1987).
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@ -238,6 +238,3 @@ as rigid bodies, and their motion integrated with a command like :doc:`fix nve/b
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particles are computed via a command like :doc:`pair_style body/nparticle <pair_body_nparticle>`.
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particles are computed via a command like :doc:`pair_style body/nparticle <pair_body_nparticle>`.
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@ -68,6 +68,3 @@ magnetic spin, or the magnetic force acting on this spin.
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Journal of Computational Physics, 372, 406-425, (2018).
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Journal of Computational Physics, 372, 406-425, (2018).
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@ -33,6 +33,3 @@ velocity bias. This allows the translational velocity of spherical or
|
|||||||
aspherical particles to be adjusted in prescribed ways.
|
aspherical particles to be adjusted in prescribed ways.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -94,6 +94,3 @@ temperature compute is used for default thermodynamic output.
|
|||||||
Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
|
Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -76,6 +76,3 @@ Phys, 79, 926 (1983).
|
|||||||
**(Price)** Price and Brooks, J Chem Phys, 121, 10096 (2004).
|
**(Price)** Price and Brooks, J Chem Phys, 121, 10096 (2004).
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -111,6 +111,3 @@ Wikipedia also has a nice article on `water models <http://en.wikipedia.org/wiki
|
|||||||
Phys, 79, 926 (1983).
|
Phys, 79, 926 (1983).
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -1,17 +1,3 @@
|
|||||||
:doc:`Higher level section <Howto>` - `LAMMPS WWW Site <lws_>`_ - `LAMMPS Documentation <ld_>`_ - `LAMMPS Commands <lc_>`_
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
.. _ld: Manual.html
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
.. _lc: Commands\_all.html
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
Triclinic (non-orthogonal) simulation boxes
|
Triclinic (non-orthogonal) simulation boxes
|
||||||
===========================================
|
===========================================
|
||||||
|
|
||||||
|
|||||||
@ -143,6 +143,3 @@ with time at sufficiently long times.
|
|||||||
Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
|
Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -38,6 +38,3 @@ snapshots.
|
|||||||
|
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -71,6 +71,3 @@ command. At some point we plan to allow regoin surfaces to be used as
|
|||||||
frictional walls, as well as triangulated surfaces.
|
frictional walls, as well as triangulated surfaces.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -53,6 +53,3 @@ some of them if you download executables, as explained on the pages
|
|||||||
listed above.
|
listed above.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -43,6 +43,3 @@ up the Conda capability.
|
|||||||
|
|
||||||
.. _mini_conda_install: https://docs.conda.io/en/latest/miniconda.html
|
.. _mini_conda_install: https://docs.conda.io/en/latest/miniconda.html
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -123,6 +123,3 @@ gmail.com) and Richard Berger (Temple U, richard.berger at
|
|||||||
temple.edu).
|
temple.edu).
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -264,6 +264,3 @@ Note that the AUR provides build-scripts that download the source and
|
|||||||
the build the package on your machine.
|
the build the package on your machine.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -49,6 +49,3 @@ up the Homebrew capability.
|
|||||||
|
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -63,6 +63,3 @@ up to date.
|
|||||||
package-update".
|
package-update".
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -97,6 +97,3 @@ gmail.com) and Richard Berger (Temple U, richard.berger at
|
|||||||
temple.edu).
|
temple.edu).
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -79,6 +79,3 @@ in the new patch release. Instructions for applying a patch file are
|
|||||||
on the :doc:`Install patch <Install_patch>` doc page.
|
on the :doc:`Install patch <Install_patch>` doc page.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -44,6 +44,3 @@ Thanks to Axel Kohlmeyer (Temple U, akohlmey at gmail.com) for setting
|
|||||||
up this Windows capability.
|
up this Windows capability.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -16,6 +16,3 @@ These pages provide a brief introduction to LAMMPS.
|
|||||||
Intro_website
|
Intro_website
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -64,6 +64,3 @@ version of LAMMPS were the following:
|
|||||||
* Jim Belak and Roy Pollock (LLNL)
|
* Jim Belak and Roy Pollock (LLNL)
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -226,6 +226,3 @@ classical MD options:
|
|||||||
* :doc:`two-temperature electron model <fix_ttm>`
|
* :doc:`two-temperature electron model <fix_ttm>`
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -82,6 +82,3 @@ Here are suggestions on how to perform these tasks:
|
|||||||
and is available for download from `this page <http://www.cs.sandia.gov/~sjplimp/download.html>`_.
|
and is available for download from `this page <http://www.cs.sandia.gov/~sjplimp/download.html>`_.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -44,6 +44,3 @@ source file headers (including the copyright and GPL notices) should
|
|||||||
remain part of the code.
|
remain part of the code.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -49,6 +49,3 @@ Processors communicate and store "ghost" atom information for atoms
|
|||||||
that border their sub-domain.
|
that border their sub-domain.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -34,6 +34,3 @@ this Intr are included in this list.
|
|||||||
* `Funding for LAMMPS <http://lammps.sandia.gov/funding.html>`_
|
* `Funding for LAMMPS <http://lammps.sandia.gov/funding.html>`_
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -87,6 +87,3 @@ Indices and tables
|
|||||||
</BODY>
|
</BODY>
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -136,6 +136,3 @@ 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'
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -23,6 +23,3 @@ first page of the :doc:`manual <Manual>`.
|
|||||||
describe the version you have, which may be older.
|
describe the version you have, which may be older.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -35,6 +35,3 @@ as a pull request on our `GitHub site <https://github.com/lammps/lammps>`_, afte
|
|||||||
Modify_variable
|
Modify_variable
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -119,6 +119,3 @@ Ivector or dvector are vectors of length Nlocal = # of owned atoms,
|
|||||||
which store the attributes of individual atoms.
|
which store the attributes of individual atoms.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -35,6 +35,3 @@ class. See body.h for details.
|
|||||||
+----------------------+-----------------------------------------------------------+
|
+----------------------+-----------------------------------------------------------+
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -36,6 +36,3 @@ for details and specific additional methods.
|
|||||||
+-----------------------+---------------------------------------------------------------------------+
|
+-----------------------+---------------------------------------------------------------------------+
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -20,6 +20,3 @@ Of course, the new class can define other methods and variables as
|
|||||||
needed.
|
needed.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -57,6 +57,3 @@ compute\_vector or compute\_peratom methods. The USER-TALLY package
|
|||||||
provides *examples*\ \_compute\_tally.html for utilizing this mechanism.
|
provides *examples*\ \_compute\_tally.html for utilizing this mechanism.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -198,6 +198,3 @@ easier you make it for people to get started, e.g. by providing example
|
|||||||
scripts, the more likely it is that users will try out your new feature.
|
scripts, the more likely it is that users will try out your new feature.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -32,6 +32,3 @@ added to the :doc:`dump custom <dump>` command. Instead they are added
|
|||||||
to the :doc:`compute property/atom <compute_property_atom>` command.
|
to the :doc:`compute property/atom <compute_property_atom>` command.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -153,6 +153,3 @@ enables a fix to contribute values to thermodynamic output, as printed
|
|||||||
quantities and/or to be summed to the potential energy of the system.
|
quantities and/or to be summed to the potential energy of the system.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -21,6 +21,3 @@ class. See kspace.h for details.
|
|||||||
+---------------+----------------------------------------------+
|
+---------------+----------------------------------------------+
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -19,6 +19,3 @@ class. See min.h for details.
|
|||||||
+---------------+------------------------------------------+
|
+---------------+------------------------------------------+
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -102,6 +102,3 @@ functionality:
|
|||||||
**(Foo)** Foo, Morefoo, and Maxfoo, J of Classic Potentials, 75, 345 (1997).
|
**(Foo)** Foo, Morefoo, and Maxfoo, J of Classic Potentials, 75, 345 (1997).
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -35,6 +35,3 @@ Here is a brief description of the class methods in pair.h:
|
|||||||
The inner/middle/outer routines are optional.
|
The inner/middle/outer routines are optional.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -22,6 +22,3 @@ class. See region.h for details.
|
|||||||
+-------------------+---------------------------------------------------------------------+
|
+-------------------+---------------------------------------------------------------------+
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -27,6 +27,3 @@ be simpler to compute what you wish via one of those constructs, than
|
|||||||
by adding a new keyword to the thermo command.
|
by adding a new keyword to the thermo command.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -40,6 +40,3 @@ Adding new :doc:`compute styles <compute>` (whose calculated values can
|
|||||||
then be accessed by variables) is discussed on the :doc:`Modify compute <Modify_compute>` doc page.
|
then be accessed by variables) is discussed on the :doc:`Modify compute <Modify_compute>` doc page.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -20,6 +20,3 @@ LAMMPS build process.
|
|||||||
Packages_details
|
Packages_details
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -2448,6 +2448,3 @@ which discuss the `QuickFF <quickff_>`_ methodology.
|
|||||||
* examples/USER/yaff
|
* examples/USER/yaff
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -91,6 +91,3 @@ package:
|
|||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+-----------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+-----------------------------------------------------+---------+
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -115,6 +115,3 @@ package:
|
|||||||
.. _MOFplus: https://www.mofplus.org/content/show/MOF-FF
|
.. _MOFplus: https://www.mofplus.org/content/show/MOF-FF
|
||||||
.. _PLUMED: http://www.plumed.org
|
.. _PLUMED: http://www.plumed.org
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -79,6 +79,3 @@ library and insure that Python can find the python/lammps.py file and
|
|||||||
the shared library.
|
the shared library.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -111,6 +111,3 @@ different visualization package options. Click to see larger images:
|
|||||||
:target: JPG/screenshot_vmd.jpg
|
:target: JPG/screenshot_vmd.jpg
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -44,6 +44,3 @@ a pull request to our `GitHub site <https://github.com/lammps/lammps>`_,
|
|||||||
and they can be added to the LAMMPS distribution or webpage.
|
and they can be added to the LAMMPS distribution or webpage.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -70,6 +70,3 @@ system directory. This is not needed if you set the LD\_LIBRARY\_PATH
|
|||||||
environment variable as described above.
|
environment variable as described above.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -275,6 +275,3 @@ following steps:
|
|||||||
:members:
|
:members:
|
||||||
:no-undoc-members:
|
:no-undoc-members:
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
@ -76,6 +76,3 @@ and see one line of output for each processor you run on.
|
|||||||
the right one.
|
the right one.
|
||||||
|
|
||||||
|
|
||||||
.. _lws: http://lammps.sandia.gov
|
|
||||||
.. _ld: Manual.html
|
|
||||||
.. _lc: Commands_all.html
|
|
||||||
|
|||||||
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Reference in New Issue
Block a user