From a382f4ce3cff0ddbfae4d1bf4f665376b31ec7d3 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 29 Mar 2023 17:46:17 -0400 Subject: [PATCH] some more documentation updates --- doc/src/Commands_removed.rst | 14 ++++++++++++++ doc/src/Howto_couple.rst | 14 +++++++------- doc/utils/sphinx-config/false_positives.txt | 1 + 3 files changed, 22 insertions(+), 7 deletions(-) diff --git a/doc/src/Commands_removed.rst b/doc/src/Commands_removed.rst index 06b0303037..d50eab3a41 100644 --- a/doc/src/Commands_removed.rst +++ b/doc/src/Commands_removed.rst @@ -38,6 +38,20 @@ been folded into the :doc:`reset_atoms ` command. If present, LAMMPS will replace the commands accordingly and print a warning. +LATTE package +------------- + +.. deprecated:: TBD + +The LATTE package with the fix latte command was removed from LAMMPS. +This functionality has been superseded by :doc:`fix mdi/qm ` +and :doc:`fix mdi/qmmm ` from the :ref:`MDI package +`. These fixes are compatible with several quantum software +packages, including LATTE. See the ``examples/QUANTUM`` dir and the +:doc:`MDI coupling HOWTO ` page. MDI supports running LAMMPS +with LATTE as a plugin library (similar to the way fix latte worked), as +well as on a different set of MPI processors. + MEAM package ------------ diff --git a/doc/src/Howto_couple.rst b/doc/src/Howto_couple.rst index 1c6c5df91f..7c8ee1e793 100644 --- a/doc/src/Howto_couple.rst +++ b/doc/src/Howto_couple.rst @@ -15,13 +15,13 @@ the context of your application. 1. Define a new :doc:`fix ` or :doc:`compute ` command that calls the other code. In this scenario, LAMMPS is the driver code. During timestepping, the fix or compute is invoked, and can - make library calls to the other code, which has been linked to - LAMMPS as a library. This is the way the :ref:`VORONOI - ` package, which computes Voronoi tesselations using - the `Voro++ library `_, is interfaced - to LAMMPS. See the :doc:`compute voronoi ` - command for more details. Also see the :doc:`Modify ` - pages for information on how to add a new fix or compute to LAMMPS. + make library calls to the other code, which has been linked to LAMMPS + as a library. This is the way the :ref:`VORONOI ` + package, which computes Voronoi tesselations using the `Voro++ + library `_, is interfaced to LAMMPS. See + the :doc:`compute voronoi ` command for more + details. Also see the :doc:`Modify ` pages for information + on how to add a new fix or compute to LAMMPS. .. spacer diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index c2ecce84d2..a4073af4fd 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -3543,6 +3543,7 @@ ters tersoff Tersoff tesselation +tesselations Tetot tex tfac