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include references to USER-OMP accelerator variant

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Axel Kohlmeyer
2021-02-09 09:40:23 -05:00
parent 2773bd7276
commit 12e8b9eb8b
2 changed files with 11 additions and 2 deletions
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2
doc/src/Commands_pair.rst
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@ -163,7 +163,7 @@ OPT.
* :doc:`lj/long/dipole/long <pair_dipole>` * :doc:`lj/long/dipole/long <pair_dipole>`
* :doc:`lj/long/tip4p/long (o) <pair_lj_long>` * :doc:`lj/long/tip4p/long (o) <pair_lj_long>`
* :doc:`lj/mdf <pair_mdf>` * :doc:`lj/mdf <pair_mdf>`
* :doc:`lj/relres <pair_lj_relres>` * :doc:`lj/relres (o) <pair_lj_relres>`
* :doc:`lj/sdk (gko) <pair_sdk>` * :doc:`lj/sdk (gko) <pair_sdk>`
* :doc:`lj/sdk/coul/long (go) <pair_sdk>` * :doc:`lj/sdk/coul/long (go) <pair_sdk>`
* :doc:`lj/sdk/coul/msm (o) <pair_sdk>` * :doc:`lj/sdk/coul/msm (o) <pair_sdk>`

11
doc/src/pair_lj_relres.rst
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@ -1,8 +1,11 @@
.. index:: pair_style lj/relres .. index:: pair_style lj/relres
.. index:: pair_style lj/relres/omp
pair_style lj/relres command pair_style lj/relres command
============================ ============================
Accelerator Variants: *lj/relres/omp*
Syntax Syntax
"""""" """"""
@ -53,7 +56,7 @@ Details can be found in :ref:`(Chaimovich) <Chaimovich2>`.
Energy and force resulting from this methodology can be plotted via the Energy and force resulting from this methodology can be plotted via the
:doc:`pair_write <pair_write>` command to see the effect. :doc:`pair_write <pair_write>` command to see the effect.
In implementation of *lj/relres* style, atoms are grouped in the way that one of the atoms in the group plays the role of a coarse-grained site for the calculation In the implementation of *lj/relres* style, atoms are grouped in the way that one of the atoms in the group plays the role of a coarse-grained site for the calculation
of interactions beyond :math:`r_{so}` distance while continuing to play the role of a fine-grained site for shorter distances. of interactions beyond :math:`r_{so}` distance while continuing to play the role of a fine-grained site for shorter distances.
This atom must be defined as a different atom type. Other atoms in the group participate in the fine-grained interactions only. This atom must be defined as a different atom type. Other atoms in the group participate in the fine-grained interactions only.
@ -81,6 +84,12 @@ Additional parameters can be defined to specify different :math:`r_{si}`, :math:
These parameters are optional and they are used to override global values defined in the pair_style command. These parameters are optional and they are used to override global values defined in the pair_style command.
If this override option is used, all four values must be specified. If not specified, the global values for :math:`r_{si}`, :math:`r_{so}`, :math:`r_{ci}`, and :math:`r_{co}` are used. If this override option is used, all four values must be specified. If not specified, the global values for :math:`r_{si}`, :math:`r_{so}`, :math:`r_{ci}`, and :math:`r_{co}` are used.
----------
.. include:: accel_styles.rst
----------
Mixing, shift, table, tail correction, restart, rRESPA info Mixing, shift, table, tail correction, restart, rRESPA info
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" """""""""""""""""""""""""""""""""""""""""""""""""""""""""""