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@ -15,7 +15,6 @@ details of the system, or develop new capabilities. For instance, the numerics
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associated with calculating gradients, reproducing kernels, etc. are separated
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associated with calculating gradients, reproducing kernels, etc. are separated
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into distinct classes to simplify the development of new integration schemes
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into distinct classes to simplify the development of new integration schemes
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which can call these calculations. Additional numerical details can be found in
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which can call these calculations. Additional numerical details can be found in
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:ref:`(Palermo) <howto_rheo_palermo>` and
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:ref:`(Clemmer) <howto_rheo_clemmer>`.
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:ref:`(Clemmer) <howto_rheo_clemmer>`.
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Note, if you simply want to run a traditional SPH simulation, the :ref:`SPH package
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Note, if you simply want to run a traditional SPH simulation, the :ref:`SPH package
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@ -107,10 +106,6 @@ criteria for creating/deleting a bond or altering force calculations).
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----------
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----------
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.. _howto_rheo_palermo:
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**(Palermo)** Palermo, Wolf, Clemmer, O'Connor, in preparation.
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.. _howto_rheo_clemmer:
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.. _howto_rheo_clemmer:
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**(Clemmer)** Clemmer, Pierce, O'Connor, Nevins, Jones, Lechman, Tencer, Appl. Math. Model., 130, 310-326 (2024).
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**(Clemmer)** Clemmer, Pierce, O'Connor, Nevins, Jones, Lechman, Tencer, Appl. Math. Model., 130, 310-326 (2024).
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@ -182,9 +182,9 @@ a simulation box which replicates that unit cell along each of the
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well as the atoms created by this command with their per-atom
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well as the atoms created by this command with their per-atom
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information (e.g. coordinates, velocities) are converted (rotated)
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information (e.g. coordinates, velocities) are converted (rotated)
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from general to restricted triclinic form when the two commands are
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from general to restricted triclinic form when the two commands are
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invoked. The <Howto_triclinic>` doc page also discusses other
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invoked. The :doc:`Howto_triclinic <Howto_triclinic>` doc page also
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LAMMPS commands which can input/output general triclinic
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discusses other LAMMPS commands which can input/output general
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representations of the simulation box and per-atom data.
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triclinic representations of the simulation box and per-atom data.
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The *box* style will fill the entire general triclinic box with
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The *box* style will fill the entire general triclinic box with
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particles on the lattice, as explained above.
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particles on the lattice, as explained above.
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@ -13,7 +13,7 @@ Syntax
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* N = # of atom types to use in this simulation
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* N = # of atom types to use in this simulation
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* region-ID = ID of region to use as simulation domain or NULL for general triclinic box
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* region-ID = ID of region to use as simulation domain or NULL for general triclinic box
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* alo,ahi,blo,bhi,clo,chi = multipliers on a1,a2,a3 vectors defined by :doc"`lattice <lattice>` command (only when region-ID = NULL)
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* alo,ahi,blo,bhi,clo,chi = multipliers on a1,a2,a3 vectors defined by :doc:`lattice <lattice>` command (only when region-ID = NULL)
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* zero or more keyword/value pairs may be appended
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* zero or more keyword/value pairs may be appended
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* keyword = *bond/types* or *angle/types* or *dihedral/types* or *improper/types* or *extra/bond/per/atom* or *extra/angle/per/atom* or *extra/dihedral/per/atom* or *extra/improper/per/atom* or *extra/special/per/atom*
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* keyword = *bond/types* or *angle/types* or *dihedral/types* or *improper/types* or *extra/bond/per/atom* or *extra/angle/per/atom* or *extra/dihedral/per/atom* or *extra/improper/per/atom* or *extra/special/per/atom*
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@ -47,10 +47,8 @@ Description
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.. versionadded:: TBD
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.. versionadded:: TBD
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Perform time integration for RHEO particles, updating positions, velocities,
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Perform time integration for RHEO particles, updating positions, velocities,
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and densities. For a detailed breakdown of the integration timestep and
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and densities. For an overview of other features available in the RHEO package,
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numerical details, see :ref:`(Palermo) <rheo_palermo>`. For an
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see :doc:`the RHEO howto <Howto_rheo>`.
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overview of other features available in the RHEO package, see
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:doc:`the RHEO howto <Howto_rheo>`.
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The type of kernel is specified using *kstyle* and the cutoff is *cut*. Four
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The type of kernel is specified using *kstyle* and the cutoff is *cut*. Four
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kernels are currently available. The *quintic* kernel is a standard quintic
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kernels are currently available. The *quintic* kernel is a standard quintic
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@ -73,12 +71,7 @@ and velocity of solid particles are alternatively reconstructed for every
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fluid-solid interaction to ensure no-slip and pressure-balanced boundaries.
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fluid-solid interaction to ensure no-slip and pressure-balanced boundaries.
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This is done by estimating the location of the fluid-solid interface and
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This is done by estimating the location of the fluid-solid interface and
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extrapolating fluid particle properties across the interface to calculate a
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extrapolating fluid particle properties across the interface to calculate a
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temporary apparent density and velocity for a solid particle. The numerical
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temporary apparent density and velocity for a solid particle.
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details are the same as those described in
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:ref:`(Palermo) <howto_rheo_palermo>` except there is an additional
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restriction that the reconstructed solid density cannot be less than the
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equilibrium density. This prevents fluid particles from sticking to solid
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surfaces.
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A modified form of Fickian particle shifting can be enabled with the
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A modified form of Fickian particle shifting can be enabled with the
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*shift* keyword. This effectively shifts particle positions to generate a
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*shift* keyword. This effectively shifts particle positions to generate a
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@ -171,10 +164,6 @@ Default
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----------
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----------
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.. _rheo_palermo:
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**(Palermo)** Palermo, Wolf, Clemmer, O'Connor, in preparation.
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.. _fix_rheo_hu:
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.. _fix_rheo_hu:
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**(Hu)** Hu, and Adams J. Comp. Physics, 213, 844-861 (2006).
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**(Hu)** Hu, and Adams J. Comp. Physics, 213, 844-861 (2006).
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@ -72,8 +72,6 @@ is assigned. This implies a value of
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.. math::
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.. math::
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\tau_0 = \eta \dot{\gamma}_0 - K \dot{\gamma}_0^N
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\tau_0 = \eta \dot{\gamma}_0 - K \dot{\gamma}_0^N
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as further discussed in :ref:`(Palermo) <rheo_palermo2>`.
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Restart, fix_modify, output, run start/stop, minimize info
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Restart, fix_modify, output, run start/stop, minimize info
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"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
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"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
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@ -111,7 +109,3 @@ Default
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none
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none
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----------
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----------
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.. _rheo_palermo2:
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**(Palermo)** Palermo, Wolf, Clemmer, O'Connor, in preparation.
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