Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes

This commit is contained in:
Stan Moore
2024-10-04 16:24:43 -06:00
26 changed files with 100 additions and 40 deletions

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@ -88,6 +88,10 @@ too frequently.
----------
.. include:: accel_styles.rst
----------
Output info
"""""""""""

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@ -125,10 +125,6 @@ where thermo_temp is the ID of a similarly defined compute of style
----------
.. include:: accel_styles.rst
----------
Output info
"""""""""""

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@ -128,6 +128,12 @@ See the :doc:`Howto thermostat <Howto_thermostat>` page for a
discussion of different ways to compute temperature and perform
thermostatting.
----------
.. include:: accel_styles.rst
----------
Output info
"""""""""""

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@ -82,12 +82,6 @@ See the :doc:`Howto thermostat <Howto_thermostat>` page for a
discussion of different ways to compute temperature and perform
thermostatting.
----------
.. include:: accel_styles.rst
----------
Output info
"""""""""""

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@ -115,10 +115,6 @@ correctly, the minimization will not converge properly.
----------
.. include:: accel_styles.rst
----------
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -71,10 +71,6 @@ to it.
----------
.. include:: accel_styles.rst
----------
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -79,8 +79,6 @@ It also means that changing attributes of *thermo_temp* or
----------
.. include:: accel_styles.rst
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -103,8 +103,6 @@ remaining thermal degrees of freedom, and the bias is added back in.
----------
.. include:: accel_styles.rst
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -85,8 +85,6 @@ remaining thermal degrees of freedom, and the bias is added back in.
----------
.. include:: accel_styles.rst
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -123,6 +123,12 @@ also be potentially mitigated by using more multiple walls.
conservative as possible (every timestep if needed). Those are the
default settings.
----------
.. include:: accel_styles.rst
----------
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -3,6 +3,8 @@
min_style cg command
====================
Accelerator Variant: *cg/kk*
min_style hftn command
======================

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@ -71,6 +71,10 @@ The global cutoff (:math:`r_c`) specified in the pair_style command is used.
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -77,6 +77,10 @@ The global decay length of the charge (:math:`\lambda`) specified in the pair_st
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -741,10 +741,6 @@ atom types.
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -287,6 +287,10 @@ concentration profiles of the two chemical species as
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -62,6 +62,10 @@ cutoff specified in the pair_style command is used.
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -39,6 +39,10 @@ above.
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -43,6 +43,10 @@ above.
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -52,6 +52,10 @@ above.
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""