forked from lijiext/lammps
Merge branch 'master' into collected_small_fixes
This commit is contained in:
commit
a0fb7c812c
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@ -131,7 +131,7 @@ set(LAMMPS_API_DEFINES)
|
||||||
set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE
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set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE
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||||||
GRANULAR KSPACE LATTE MANYBODY MC MESSAGE MISC MOLECULE PERI POEMS QEQ
|
GRANULAR KSPACE LATTE MANYBODY MC MESSAGE MISC MOLECULE PERI POEMS QEQ
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||||||
REPLICA RIGID SHOCK SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI
|
REPLICA RIGID SHOCK SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI
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||||||
USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS
|
USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-MESODPD USER-CGSDK USER-COLVARS
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||||||
USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB
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USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB
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||||||
USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
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USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
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||||||
USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REACTION
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USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REACTION
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||||||
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@ -95,7 +95,7 @@ OPT.
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||||||
* :doc:`eam/fs (gikot) <pair_eam>`
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* :doc:`eam/fs (gikot) <pair_eam>`
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||||||
* :doc:`edip (o) <pair_edip>`
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* :doc:`edip (o) <pair_edip>`
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* :doc:`edip/multi <pair_edip>`
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* :doc:`edip/multi <pair_edip>`
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||||||
* :doc:`edpd <pair_meso>`
|
* :doc:`edpd <pair_mesodpd>`
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||||||
* :doc:`eff/cut <pair_eff>`
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* :doc:`eff/cut <pair_eff>`
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||||||
* :doc:`eim (o) <pair_eim>`
|
* :doc:`eim (o) <pair_eim>`
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||||||
* :doc:`exp6/rx (k) <pair_exp6_rx>`
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* :doc:`exp6/rx (k) <pair_exp6_rx>`
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||||||
|
@ -171,8 +171,8 @@ OPT.
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||||||
* :doc:`lubricate/poly (o) <pair_lubricate>`
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* :doc:`lubricate/poly (o) <pair_lubricate>`
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||||||
* :doc:`lubricateU <pair_lubricateU>`
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* :doc:`lubricateU <pair_lubricateU>`
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||||||
* :doc:`lubricateU/poly <pair_lubricateU>`
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* :doc:`lubricateU/poly <pair_lubricateU>`
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||||||
* :doc:`mdpd <pair_meso>`
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* :doc:`mdpd <pair_mesodpd>`
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||||||
* :doc:`mdpd/rhosum <pair_meso>`
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* :doc:`mdpd/rhosum <pair_mesodpd>`
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||||||
* :doc:`meam/c <pair_meamc>`
|
* :doc:`meam/c <pair_meamc>`
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||||||
* :doc:`meam/spline (o) <pair_meam_spline>`
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* :doc:`meam/spline (o) <pair_meam_spline>`
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||||||
* :doc:`meam/sw/spline <pair_meam_sw_spline>`
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* :doc:`meam/sw/spline <pair_meam_sw_spline>`
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||||||
|
@ -242,7 +242,7 @@ OPT.
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||||||
* :doc:`sw (giko) <pair_sw>`
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* :doc:`sw (giko) <pair_sw>`
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||||||
* :doc:`table (gko) <pair_table>`
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* :doc:`table (gko) <pair_table>`
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||||||
* :doc:`table/rx (k) <pair_table_rx>`
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* :doc:`table/rx (k) <pair_table_rx>`
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||||||
* :doc:`tdpd <pair_meso>`
|
* :doc:`tdpd <pair_mesodpd>`
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||||||
* :doc:`tersoff (giko) <pair_tersoff>`
|
* :doc:`tersoff (giko) <pair_tersoff>`
|
||||||
* :doc:`tersoff/mod (gko) <pair_tersoff_mod>`
|
* :doc:`tersoff/mod (gko) <pair_tersoff_mod>`
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||||||
* :doc:`tersoff/mod/c (o) <pair_tersoff_mod>`
|
* :doc:`tersoff/mod/c (o) <pair_tersoff_mod>`
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||||||
|
|
|
@ -81,7 +81,7 @@ page gives those details.
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||||||
* :ref:`USER-LB <PKG-USER-LB>`
|
* :ref:`USER-LB <PKG-USER-LB>`
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||||||
* :ref:`USER-MANIFOLD <PKG-USER-MANIFOLD>`
|
* :ref:`USER-MANIFOLD <PKG-USER-MANIFOLD>`
|
||||||
* :ref:`USER-MEAMC <PKG-USER-MEAMC>`
|
* :ref:`USER-MEAMC <PKG-USER-MEAMC>`
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||||||
* :ref:`USER-MESO <PKG-USER-MESO>`
|
* :ref:`USER-MESODPD <PKG-USER-MESODPD>`
|
||||||
* :ref:`USER-MGPT <PKG-USER-MGPT>`
|
* :ref:`USER-MGPT <PKG-USER-MGPT>`
|
||||||
* :ref:`USER-MISC <PKG-USER-MISC>`
|
* :ref:`USER-MISC <PKG-USER-MISC>`
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||||||
* :ref:`USER-MOFFF <PKG-USER-MOFFF>`
|
* :ref:`USER-MOFFF <PKG-USER-MOFFF>`
|
||||||
|
@ -1793,10 +1793,10 @@ Sandia.
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||||||
----------
|
----------
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||||||
|
|
||||||
|
|
||||||
.. _PKG-USER-MESO:
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.. _PKG-USER-MESODPD:
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||||||
|
|
||||||
USER-MESO package
|
USER-MESODPD package
|
||||||
-----------------
|
--------------------
|
||||||
|
|
||||||
**Contents:**
|
**Contents:**
|
||||||
|
|
||||||
|
@ -1812,14 +1812,14 @@ algorithm.
|
||||||
|
|
||||||
**Supporting info:**
|
**Supporting info:**
|
||||||
|
|
||||||
* src/USER-MESO: filenames -> commands
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* src/USER-MESODPD: filenames -> commands
|
||||||
* src/USER-MESO/README
|
* src/USER-MESODPD/README
|
||||||
* :doc:`atom_style edpd <atom_style>`
|
* :doc:`atom_style edpd <atom_style>`
|
||||||
* :doc:`pair_style edpd <pair_meso>`
|
* :doc:`pair_style edpd <pair_mesodpd>`
|
||||||
* :doc:`pair_style mdpd <pair_meso>`
|
* :doc:`pair_style mdpd <pair_mesodpd>`
|
||||||
* :doc:`pair_style tdpd <pair_meso>`
|
* :doc:`pair_style tdpd <pair_mesodpd>`
|
||||||
* :doc:`fix mvv/dpd <fix_mvv_dpd>`
|
* :doc:`fix mvv/dpd <fix_mvv_dpd>`
|
||||||
* examples/USER/meso
|
* examples/USER/mesodpd
|
||||||
* http://lammps.sandia.gov/movies.html#mesodpd
|
* http://lammps.sandia.gov/movies.html#mesodpd
|
||||||
|
|
||||||
|
|
||||||
|
|
|
@ -65,7 +65,7 @@ package:
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
||||||
| :ref:`USER-MEAMC <PKG-USER-MEAMC>` | modified EAM potential (C++) | :doc:`pair_style meam/c <pair_meamc>` | meamc | no |
|
| :ref:`USER-MEAMC <PKG-USER-MEAMC>` | modified EAM potential (C++) | :doc:`pair_style meam/c <pair_meamc>` | meamc | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
||||||
| :ref:`USER-MESO <PKG-USER-MESO>` | mesoscale DPD models | :doc:`pair_style edpd <pair_meso>` | USER/meso | no |
|
| :ref:`USER-MESODPD <PKG-USER-MESODPD>` | mesoscale DPD models | :doc:`pair_style edpd <pair_mesodpd>` | USER/mesodpd | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
||||||
| :ref:`USER-MGPT <PKG-USER-MGPT>` | fast MGPT multi-ion potentials | :doc:`pair_style mgpt <pair_mgpt>` | USER/mgpt | no |
|
| :ref:`USER-MGPT <PKG-USER-MGPT>` | fast MGPT multi-ion potentials | :doc:`pair_style mgpt <pair_mgpt>` | USER/mgpt | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+-----------------------------------------------------+---------+
|
||||||
|
|
|
@ -338,7 +338,7 @@ The *electron* style is part of the USER-EFF package for :doc:`electronic force
|
||||||
The *dpd* style is part of the USER-DPD package for dissipative
|
The *dpd* style is part of the USER-DPD package for dissipative
|
||||||
particle dynamics (DPD).
|
particle dynamics (DPD).
|
||||||
|
|
||||||
The *edpd*\ , *mdpd*\ , and *tdpd* styles are part of the USER-MESO package
|
The *edpd*\ , *mdpd*\ , and *tdpd* styles are part of the USER-MESODPD package
|
||||||
for energy-conserving dissipative particle dynamics (eDPD), many-body
|
for energy-conserving dissipative particle dynamics (eDPD), many-body
|
||||||
dissipative particle dynamics (mDPD), and transport dissipative particle
|
dissipative particle dynamics (mDPD), and transport dissipative particle
|
||||||
dynamics (tDPD), respectively.
|
dynamics (tDPD), respectively.
|
||||||
|
|
|
@ -46,13 +46,13 @@ Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
|
|
||||||
This compute is part of the USER-MESO package. It is only enabled if
|
This compute is part of the USER-MESODPD package. It is only enabled if
|
||||||
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
Related commands
|
Related commands
|
||||||
""""""""""""""""
|
""""""""""""""""
|
||||||
|
|
||||||
:doc:`pair_style edpd <pair_meso>`
|
:doc:`pair_style edpd <pair_mesodpd>`
|
||||||
|
|
||||||
**Default:** none
|
**Default:** none
|
||||||
|
|
||||||
|
|
|
@ -48,13 +48,13 @@ Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
|
|
||||||
This compute is part of the USER-MESO package. It is only enabled if
|
This compute is part of the USER-MESODPD package. It is only enabled if
|
||||||
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
Related commands
|
Related commands
|
||||||
""""""""""""""""
|
""""""""""""""""
|
||||||
|
|
||||||
:doc:`pair_style tdpd <pair_meso>`
|
:doc:`pair_style tdpd <pair_mesodpd>`
|
||||||
|
|
||||||
**Default:** none
|
**Default:** none
|
||||||
|
|
||||||
|
|
|
@ -82,16 +82,16 @@ Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
|
|
||||||
This fix is part of the USER-MESO package. It is only enabled if
|
This fix is part of the USER-MESODPD package. It is only enabled if
|
||||||
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
Fix *edpd/source* must be used with the :doc:`pair_style edpd <pair_meso>` command. Fix *tdpd/source* must be used with the
|
Fix *edpd/source* must be used with the :doc:`pair_style edpd <pair_mesodpd>` command. Fix *tdpd/source* must be used with the
|
||||||
:doc:`pair_style tdpd <pair_meso>` command.
|
:doc:`pair_style tdpd <pair_mesodpd>` command.
|
||||||
|
|
||||||
Related commands
|
Related commands
|
||||||
""""""""""""""""
|
""""""""""""""""
|
||||||
|
|
||||||
:doc:`pair_style edpd <pair_meso>`, :doc:`pair_style tdpd <pair_meso>`,
|
:doc:`pair_style edpd <pair_mesodpd>`, :doc:`pair_style tdpd <pair_mesodpd>`,
|
||||||
:doc:`compute edpd/temp/atom <compute_edpd_temp_atom>`, :doc:`compute tdpd/cc/atom <compute_tdpd_cc_atom>`
|
:doc:`compute edpd/temp/atom <compute_edpd_temp_atom>`, :doc:`compute tdpd/cc/atom <compute_tdpd_cc_atom>`
|
||||||
|
|
||||||
**Default:** none
|
**Default:** none
|
||||||
|
|
|
@ -66,15 +66,15 @@ standard velocity-Verlet (VV) scheme. For more details, see
|
||||||
:ref:`Groot <Groot2>`.
|
:ref:`Groot <Groot2>`.
|
||||||
|
|
||||||
Fix *mvv/dpd* updates the position and velocity of each atom. It can
|
Fix *mvv/dpd* updates the position and velocity of each atom. It can
|
||||||
be used with the :doc:`pair_style mdpd <pair_meso>` command or other
|
be used with the :doc:`pair_style mdpd <pair_mesodpd>` command or other
|
||||||
pair styles such as :doc:`pair dpd <pair_dpd>`.
|
pair styles such as :doc:`pair dpd <pair_dpd>`.
|
||||||
|
|
||||||
Fix *mvv/edpd* updates the per-atom temperature, in addition to
|
Fix *mvv/edpd* updates the per-atom temperature, in addition to
|
||||||
position and velocity, and must be used with the :doc:`pair_style edpd <pair_meso>` command.
|
position and velocity, and must be used with the :doc:`pair_style edpd <pair_mesodpd>` command.
|
||||||
|
|
||||||
Fix *mvv/tdpd* updates the per-atom chemical concentration, in
|
Fix *mvv/tdpd* updates the per-atom chemical concentration, in
|
||||||
addition to position and velocity, and must be used with the
|
addition to position and velocity, and must be used with the
|
||||||
:doc:`pair_style tdpd <pair_meso>` command.
|
:doc:`pair_style tdpd <pair_mesodpd>` command.
|
||||||
|
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
@ -92,14 +92,14 @@ Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
|
|
||||||
This fix is part of the USER-MESO package. It is only enabled if
|
This fix is part of the USER-MESODPD package. It is only enabled if
|
||||||
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
Related commands
|
Related commands
|
||||||
""""""""""""""""
|
""""""""""""""""
|
||||||
|
|
||||||
:doc:`pair_style mdpd <pair_meso>`, :doc:`pair_style edpd <pair_meso>`,
|
:doc:`pair_style mdpd <pair_mesodpd>`, :doc:`pair_style edpd <pair_mesodpd>`,
|
||||||
:doc:`pair_style tdpd <pair_meso>`
|
:doc:`pair_style tdpd <pair_mesodpd>`
|
||||||
|
|
||||||
Default
|
Default
|
||||||
"""""""
|
"""""""
|
||||||
|
|
|
@ -297,7 +297,7 @@ Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
The pair styles *edpd*\ , *mdpd*\ , *mdpd/rhosum* and *tdpd* are part of
|
The pair styles *edpd*\ , *mdpd*\ , *mdpd/rhosum* and *tdpd* are part of
|
||||||
the USER-MESO package. It is only enabled if LAMMPS was built with
|
the USER-MESODPD package. It is only enabled if LAMMPS was built with
|
||||||
that package. See the :doc:`Build package <Build_package>` doc page for
|
that package. See the :doc:`Build package <Build_package>` doc page for
|
||||||
more info.
|
more info.
|
||||||
|
|
|
@ -162,7 +162,7 @@ accelerated styles exist.
|
||||||
* :doc:`eam/fs <pair_eam>` - Finnis-Sinclair EAM
|
* :doc:`eam/fs <pair_eam>` - Finnis-Sinclair EAM
|
||||||
* :doc:`edip <pair_edip>` - three-body EDIP potential
|
* :doc:`edip <pair_edip>` - three-body EDIP potential
|
||||||
* :doc:`edip/multi <pair_edip>` - multi-element EDIP potential
|
* :doc:`edip/multi <pair_edip>` - multi-element EDIP potential
|
||||||
* :doc:`edpd <pair_meso>` - eDPD particle interactions
|
* :doc:`edpd <pair_mesodpd>` - eDPD particle interactions
|
||||||
* :doc:`eff/cut <pair_eff>` - electron force field with a cutoff
|
* :doc:`eff/cut <pair_eff>` - electron force field with a cutoff
|
||||||
* :doc:`eim <pair_eim>` - embedded ion method (EIM)
|
* :doc:`eim <pair_eim>` - embedded ion method (EIM)
|
||||||
* :doc:`exp6/rx <pair_exp6_rx>` - reactive DPD potential
|
* :doc:`exp6/rx <pair_exp6_rx>` - reactive DPD potential
|
||||||
|
@ -239,8 +239,8 @@ accelerated styles exist.
|
||||||
* :doc:`lubricate/poly <pair_lubricate>` - hydrodynamic lubrication forces with polydispersity
|
* :doc:`lubricate/poly <pair_lubricate>` - hydrodynamic lubrication forces with polydispersity
|
||||||
* :doc:`lubricateU <pair_lubricateU>` - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
* :doc:`lubricateU <pair_lubricateU>` - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
||||||
* :doc:`lubricateU/poly <pair_lubricateU>` - hydrodynamic lubrication forces for Fast Lubrication with polydispersity
|
* :doc:`lubricateU/poly <pair_lubricateU>` - hydrodynamic lubrication forces for Fast Lubrication with polydispersity
|
||||||
* :doc:`mdpd <pair_meso>` - mDPD particle interactions
|
* :doc:`mdpd <pair_mesodpd>` - mDPD particle interactions
|
||||||
* :doc:`mdpd/rhosum <pair_meso>` - mDPD particle interactions for mass density
|
* :doc:`mdpd/rhosum <pair_mesodpd>` - mDPD particle interactions for mass density
|
||||||
* :doc:`meam/c <pair_meamc>` - modified embedded atom method (MEAM) in C
|
* :doc:`meam/c <pair_meamc>` - modified embedded atom method (MEAM) in C
|
||||||
* :doc:`meam/spline <pair_meam_spline>` - splined version of MEAM
|
* :doc:`meam/spline <pair_meam_spline>` - splined version of MEAM
|
||||||
* :doc:`meam/sw/spline <pair_meam_sw_spline>` - splined version of MEAM with a Stillinger-Weber term
|
* :doc:`meam/sw/spline <pair_meam_sw_spline>` - splined version of MEAM with a Stillinger-Weber term
|
||||||
|
@ -309,7 +309,7 @@ accelerated styles exist.
|
||||||
* :doc:`sw <pair_sw>` - Stillinger-Weber 3-body potential
|
* :doc:`sw <pair_sw>` - Stillinger-Weber 3-body potential
|
||||||
* :doc:`table <pair_table>` - tabulated pair potential
|
* :doc:`table <pair_table>` - tabulated pair potential
|
||||||
* :doc:`table/rx <pair_table_rx>` -
|
* :doc:`table/rx <pair_table_rx>` -
|
||||||
* :doc:`tdpd <pair_meso>` - tDPD particle interactions
|
* :doc:`tdpd <pair_mesodpd>` - tDPD particle interactions
|
||||||
* :doc:`tersoff <pair_tersoff>` - Tersoff 3-body potential
|
* :doc:`tersoff <pair_tersoff>` - Tersoff 3-body potential
|
||||||
* :doc:`tersoff/mod <pair_tersoff_mod>` - modified Tersoff 3-body potential
|
* :doc:`tersoff/mod <pair_tersoff_mod>` - modified Tersoff 3-body potential
|
||||||
* :doc:`tersoff/mod/c <pair_tersoff_mod>` -
|
* :doc:`tersoff/mod/c <pair_tersoff_mod>` -
|
||||||
|
|
|
@ -462,13 +462,13 @@ value >= 0.0, the internal temperature is set to that value. If it is
|
||||||
temperature is set to that value.
|
temperature is set to that value.
|
||||||
|
|
||||||
Keywords *edpd/temp* and *edpd/cv* set the temperature and volumetric
|
Keywords *edpd/temp* and *edpd/cv* set the temperature and volumetric
|
||||||
heat capacity of an eDPD particle as defined by the USER-MESO package.
|
heat capacity of an eDPD particle as defined by the USER-MESODPD package.
|
||||||
Currently, only :doc:`atom_style edpd <atom_style>` defines particles
|
Currently, only :doc:`atom_style edpd <atom_style>` defines particles
|
||||||
with these attributes. The values for the temperature and heat
|
with these attributes. The values for the temperature and heat
|
||||||
capacity must be positive.
|
capacity must be positive.
|
||||||
|
|
||||||
Keyword *cc* sets the chemical concentration of a tDPD particle for a
|
Keyword *cc* sets the chemical concentration of a tDPD particle for a
|
||||||
specified species as defined by the USER-MESO package. Currently, only
|
specified species as defined by the USER-MESODPD package. Currently, only
|
||||||
:doc:`atom_style tdpd <atom_style>` defines particles with this
|
:doc:`atom_style tdpd <atom_style>` defines particles with this
|
||||||
attribute. An integer for "index" selects a chemical species (1 to
|
attribute. An integer for "index" selects a chemical species (1 to
|
||||||
Nspecies) where Nspecies is set by the atom\_style command. The value
|
Nspecies) where Nspecies is set by the atom\_style command. The value
|
||||||
|
|
|
@ -1705,6 +1705,8 @@ Merz
|
||||||
meshless
|
meshless
|
||||||
meso
|
meso
|
||||||
mesocnt
|
mesocnt
|
||||||
|
MESODPD
|
||||||
|
mesodpd
|
||||||
mesoparticle
|
mesoparticle
|
||||||
mesoscale
|
mesoscale
|
||||||
mesoscopic
|
mesoscopic
|
||||||
|
|
|
@ -60,7 +60,7 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \
|
||||||
|
|
||||||
PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
|
PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
|
||||||
user-diffraction user-dpd user-drude user-eff user-fep user-h5md \
|
user-diffraction user-dpd user-drude user-eff user-fep user-h5md \
|
||||||
user-intel user-lb user-manifold user-meamc user-meso \
|
user-intel user-lb user-manifold user-meamc user-mesodpd \
|
||||||
user-mgpt user-misc user-mofff user-molfile \
|
user-mgpt user-misc user-mofff user-molfile \
|
||||||
user-netcdf user-omp user-phonon user-plumed user-ptm user-qmmm \
|
user-netcdf user-omp user-phonon user-plumed user-ptm user-qmmm \
|
||||||
user-qtb user-quip user-reaction user-reaxc user-scafacos user-smd user-smtbq \
|
user-qtb user-quip user-reaction user-reaxc user-scafacos user-smd user-smtbq \
|
||||||
|
|
Loading…
Reference in New Issue