From a7cc0c2ae344015112a828092cff1b453b891b7a Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 23 May 2012 17:47:58 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8168 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_brownian.html | 18 +++++++--- doc/pair_brownian.txt | 19 +++++++--- doc/pair_lubricate.html | 63 +++++++++++++++++++++++---------- doc/pair_lubricate.txt | 63 +++++++++++++++++++++++---------- doc/pair_lubricateU.html | 74 +++++++++++++++++++++++++------------- doc/pair_lubricateU.txt | 76 +++++++++++++++++++++++++++------------- 6 files changed, 218 insertions(+), 95 deletions(-) diff --git a/doc/pair_brownian.html b/doc/pair_brownian.html index 5028c4625a..c75cf12b7b 100644 --- a/doc/pair_brownian.html +++ b/doc/pair_brownian.html @@ -19,7 +19,7 @@

Syntax:

-
pair_style style mu flaglog flagfld cutinner cutoff t_target seed 
+
pair_style style mu flaglog flagfld cutinner cutoff t_target seed flagHI flagVF 
 

Examples:

-
pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567 (assuming radius=1)
+
pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567 (assuming radius = 1)
 pair_coeff 1 1 2.05 2.8
 pair_coeff * * 
 
@@ -55,6 +57,11 @@ For details, refer to either of the lubrication pair styles. the system. The random number seed is used to generate random numbers for the thermostatting procedure.

+

The flagHI and flagVF settings are optional. Neither should be +used, or both must be defined. +

+
+

The following coefficients must be defined for each pair of atoms types via the pair_coeff command as in the examples above, or in the data file or restart files read by the @@ -135,6 +142,9 @@ brownian. lubricate, pair_style lubricateU

-

Default: none +

Default: +

+

The default settings for the optional args are flagHI = 1 and flagVF = +1.

diff --git a/doc/pair_brownian.txt b/doc/pair_brownian.txt index 9c828a2b37..6ffe88b1b2 100644 --- a/doc/pair_brownian.txt +++ b/doc/pair_brownian.txt @@ -13,7 +13,7 @@ pair_style brownian/poly/omp command :h3 [Syntax:] -pair_style style mu flaglog flagfld cutinner cutoff t_target seed :pre +pair_style style mu flaglog flagfld cutinner cutoff t_target seed flagHI flagVF :pre style = {brownian} or {brownian/poly} mu = dynamic viscosity (dynamic viscosity units) @@ -22,11 +22,13 @@ flagfld = 0/1 to include/exclude Fast Lubrication Dynamics effects cutinner = inner cutoff distance (distance units) cutoff = outer cutoff for interactions (distance units) t_target = target temp of the system (temperature units) -seed = seed for the random number generator (positive integer) :ul +seed = seed for the random number generator (positive integer) +flagHI (optional) = 0/1 to include/exclude 1/r hydrodynamic interactions +flagVF (optional) = 0/1 to include/exclude volume fraction corrections in the long-range isotropic terms :ul [Examples:] -pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567 (assuming radius=1) +pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567 (assuming radius = 1) pair_coeff 1 1 2.05 2.8 pair_coeff * * :pre @@ -49,6 +51,11 @@ The {t_target} setting is used to specify the target temperature of the system. The random number {seed} is used to generate random numbers for the thermostatting procedure. +The {flagHI} and {flagVF} settings are optional. Neither should be +used, or both must be defined. + +:line + The following coefficients must be defined for each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in the examples above, or in the data file or restart files read by the @@ -129,4 +136,8 @@ Only spherical particles are allowed for pair_style brownian/poly. lubricate"_pair_lubricate.html, "pair_style lubricateU"_pair_lubricateU.html -[Default:] none +[Default:] + +The default settings for the optional args are flagHI = 1 and flagVF = +1. + diff --git a/doc/pair_lubricate.html b/doc/pair_lubricate.html index 31d85ec902..701e9f7d0f 100644 --- a/doc/pair_lubricate.html +++ b/doc/pair_lubricate.html @@ -19,14 +19,16 @@

Syntax:

-
pair_style style mu flaglog flagfld cutinner cutoff 
+
pair_style style mu flaglog flagfld cutinner cutoff flagHI flagVF 
 
  • style = lubricate or lubricate/poly
  • mu = dynamic viscosity (dynamic viscosity units)
  • flaglog = 0/1 log terms in the lubrication approximation off/on
  • flagfld = 0/1 to include/exclude Fast Lubrication Dynamics effects
  • cutinner = inner cutoff distance (distance units) -
  • cutoff = outer cutoff for interactions (distance units) +
  • cutoff = outer cutoff for interactions (distance units) +
  • flagHI (optional) = 0/1 to include/exclude 1/r hydrodynamic interactions +
  • flagVF (optional) = 0/1 to include/exclude volume fraction corrections in the long-range isotropic terms

Examples: (all assume radius = 1)

@@ -51,17 +53,22 @@ Melrose)

which represents the dissipation W between two nearby particles due to their relative velocities in the presence of a background solvent with -viscosity mu. Note that this is dynamic viscosity which has units of +viscosity mu. Note that this is dynamic viscosity which has units of mass/distance/time, not kinematic viscosity.

-

The Asq (squeeze) term is the strongest and is always included. It -scales as 1/gap where gap is the separation between the surfaces of -the 2 particles. The Ash (shear) and Apu (pump) terms are only -include if flaglog is set to 1. Thy are the next strongest -interactions, and the only other singular interaction, and scale as -log(gap). The Atw (twist) term is currently not included. It is +

The Asq (squeeze) term is the strongest and is included if flagHI is +set to 1 (default). It scales as 1/gap where gap is the separation +between the surfaces of the 2 particles. The Ash (shear) and Apu +(pump) terms are only included if flaglog is set to 1. They are the +next strongest interactions, and the only other singular interaction, +and scale as log(gap). Note that flaglog = 1 and flagHI = 0 is +invalid, and will result in a warning message, after which flagHI will +be set to 1. The Atw (twist) term is currently not included. It is typically a very small contribution to the lubrication forces.

+

The flagHI and flagVF settings are optional. Neither should be +used, or both must be defined. +

Cutinner sets the minimum center-to-center separation that will be used in calculations irrespective of the actual separation. Cutoff is the maximum center-to-center separation at which an interaction is @@ -77,9 +84,10 @@ represented by the following equation

where U represents the velocities and angular velocities of the particles, U^infty represents the velocity and the angular velocity of the undisturbed fluid, and E^infty represents the rate of strain -tensor of the undisturbed fluid with viscosity mu. Again, note that +tensor of the undisturbed fluid with viscosity mu. Again, note that this is dynamic viscosity which has units of mass/distance/time, not -kinematic viscosity. +kinematic viscosity. Volume fraction corrections to R_FU are included +as long as flagVF is set to 1 (default).

IMPORTANT NOTE: When using the FLD terms, these pair styles are designed to be used with explicit time integration and a @@ -92,21 +100,35 @@ lubricateU command.

Style lubricate requires monodisperse spherical particles; style lubricate/poly allows for polydisperse spherical particles.

-

The viscosity mu can be varied in a time-dependent manner over the +

The viscosity mu can be varied in a time-dependent manner over the course of a simluation, in which case in which case the pair_style -setting for mu will be overridden. See the fix adapt +setting for mu will be overridden. See the fix adapt command for details.

If the suspension is sheared via the fix deform command then the pair style uses the shear rate to adjust the -hydrodynamic interactions accordingly. +hydrodynamic interactions accordingly. Volume changes due to fix +deform are accounted for when computing the volume fraction +corrections to R_FU. +

+

When computing the volume fraction corrections to R_FU, the presence +of walls (whether moving or stationary) will affect the volume +fraction available to colloidal particles. This is currently accounted +for with the following types of walls: wall/lj93, +wall/lj126, wall/colloid, and +wall/harmonic. For these wall styles, the correct +volume fraction will be used when walls do not coincide with the box +boundary, as well as when walls move and thereby cause a change in the +volume fraction. Other wall styles will still work, but they will +result in the volume fraction being computed based on the box +boundaries.

Since lubrication forces are dissipative, it is usually desirable to -thermostat the system at a constant temperature. If Brownian motion +thermostat the system at a constant temperature. If Brownian motion (at a constant temperature) is desired, it can be set using the -pair_style brownian command. These pair styles -and the brownian style should use consistent parameters for mu, -flaglog, flagfld, cutinner, and cutoff. +pair_style brownian command. These pair styles +and the brownian style should use consistent parameters for mu, +flaglog, flagfld, cutinner, cutoff, flagHI and flagVF.


@@ -189,7 +211,10 @@ lubricate.

pair_coeff, pair_style lubricateU

-

Default: none +

Default: +

+

The default settings for the optional args are flagHI = 1 and flagVF = +1.


diff --git a/doc/pair_lubricate.txt b/doc/pair_lubricate.txt index 2a195a7ae5..9362a312c3 100644 --- a/doc/pair_lubricate.txt +++ b/doc/pair_lubricate.txt @@ -13,14 +13,16 @@ pair_style lubricate/poly/omp command :h3 [Syntax:] -pair_style style mu flaglog flagfld cutinner cutoff :pre +pair_style style mu flaglog flagfld cutinner cutoff flagHI flagVF :pre style = {lubricate} or {lubricate/poly} mu = dynamic viscosity (dynamic viscosity units) flaglog = 0/1 log terms in the lubrication approximation off/on flagfld = 0/1 to include/exclude Fast Lubrication Dynamics effects cutinner = inner cutoff distance (distance units) -cutoff = outer cutoff for interactions (distance units) :ul +cutoff = outer cutoff for interactions (distance units) +flagHI (optional) = 0/1 to include/exclude 1/r hydrodynamic interactions +flagVF (optional) = 0/1 to include/exclude volume fraction corrections in the long-range isotropic terms :ul [Examples:] (all assume radius = 1) @@ -45,17 +47,22 @@ Melrose)"_#Ball which represents the dissipation W between two nearby particles due to their relative velocities in the presence of a background solvent with -viscosity mu. Note that this is dynamic viscosity which has units of +viscosity {mu}. Note that this is dynamic viscosity which has units of mass/distance/time, not kinematic viscosity. -The Asq (squeeze) term is the strongest and is always included. It -scales as 1/gap where gap is the separation between the surfaces of -the 2 particles. The Ash (shear) and Apu (pump) terms are only -include if {flaglog} is set to 1. Thy are the next strongest -interactions, and the only other singular interaction, and scale as -log(gap). The Atw (twist) term is currently not included. It is +The Asq (squeeze) term is the strongest and is included if {flagHI} is +set to 1 (default). It scales as 1/gap where gap is the separation +between the surfaces of the 2 particles. The Ash (shear) and Apu +(pump) terms are only included if {flaglog} is set to 1. They are the +next strongest interactions, and the only other singular interaction, +and scale as log(gap). Note that {flaglog} = 1 and {flagHI} = 0 is +invalid, and will result in a warning message, after which {flagHI} will +be set to 1. The Atw (twist) term is currently not included. It is typically a very small contribution to the lubrication forces. +The {flagHI} and {flagVF} settings are optional. Neither should be +used, or both must be defined. + {Cutinner} sets the minimum center-to-center separation that will be used in calculations irrespective of the actual separation. {Cutoff} is the maximum center-to-center separation at which an interaction is @@ -71,9 +78,10 @@ represented by the following equation where U represents the velocities and angular velocities of the particles, U^{infty} represents the velocity and the angular velocity of the undisturbed fluid, and E^{infty} represents the rate of strain -tensor of the undisturbed fluid with viscosity mu. Again, note that +tensor of the undisturbed fluid with viscosity {mu}. Again, note that this is dynamic viscosity which has units of mass/distance/time, not -kinematic viscosity. +kinematic viscosity. Volume fraction corrections to R_FU are included +as long as {flagVF} is set to 1 (default). IMPORTANT NOTE: When using the FLD terms, these pair styles are designed to be used with explicit time integration and a @@ -86,21 +94,35 @@ lubricateU"_pair_lubricateU.html command. Style {lubricate} requires monodisperse spherical particles; style {lubricate/poly} allows for polydisperse spherical particles. -The viscosity mu can be varied in a time-dependent manner over the +The viscosity {mu} can be varied in a time-dependent manner over the course of a simluation, in which case in which case the pair_style -setting for mu will be overridden. See the "fix adapt"_fix_adapt.html +setting for {mu} will be overridden. See the "fix adapt"_fix_adapt.html command for details. If the suspension is sheared via the "fix deform"_fix_deform.html command then the pair style uses the shear rate to adjust the -hydrodynamic interactions accordingly. +hydrodynamic interactions accordingly. Volume changes due to fix +deform are accounted for when computing the volume fraction +corrections to R_FU. + +When computing the volume fraction corrections to R_FU, the presence +of walls (whether moving or stationary) will affect the volume +fraction available to colloidal particles. This is currently accounted +for with the following types of walls: "wall/lj93"_fix_wall.html, +"wall/lj126"_fix_wall.html, "wall/colloid"_fix_wall.html, and +"wall/harmonic"_fix_wall.html. For these wall styles, the correct +volume fraction will be used when walls do not coincide with the box +boundary, as well as when walls move and thereby cause a change in the +volume fraction. Other wall styles will still work, but they will +result in the volume fraction being computed based on the box +boundaries. Since lubrication forces are dissipative, it is usually desirable to -thermostat the system at a constant temperature. If Brownian motion +thermostat the system at a constant temperature. If Brownian motion (at a constant temperature) is desired, it can be set using the -"pair_style brownian"_pair_brownian.html command. These pair styles -and the {brownian} style should use consistent parameters for {mu}, -{flaglog}, {flagfld}, {cutinner}, and {cutoff}. +"pair_style brownian"_pair_brownian.html command. These pair styles +and the brownian style should use consistent parameters for {mu}, +{flaglog}, {flagfld}, {cutinner}, {cutoff}, {flagHI} and {flagVF}. :line @@ -183,7 +205,10 @@ Only spherical particles are allowed for pair_style lubricate/poly. "pair_coeff"_pair_coeff.html, "pair_style lubricateU"_pair_lubricateU.html -[Default:] none +[Default:] + +The default settings for the optional args are flagHI = 1 and flagVF = +1. :line diff --git a/doc/pair_lubricateU.html b/doc/pair_lubricateU.html index c96cd00e35..8d42bab78b 100644 --- a/doc/pair_lubricateU.html +++ b/doc/pair_lubricateU.html @@ -15,18 +15,20 @@

Syntax:

-
pair_style style mu flaglog cutinner cutoff gdot 
+
pair_style style mu flaglog cutinner cutoff gdot flagHI flagVF 
 
  • style = lubricateU or lubricateU/poly
  • mu = dynamic viscosity (dynamic viscosity units)
  • flaglog = 0/1 log terms in the lubrication approximation on/off
  • cutinner = inner cut off distance (distance units)
  • cutoff = outer cutoff for interactions (distance units) -
  • gdot = shear rate (1/time units) +
  • gdot = shear rate (1/time units) +
  • flagHI (optional) = 0/1 to include/exclude 1/r hydrodynamic interactions +
  • flagVF (optional) = 0/1 to include/exclude volume fraction corrections in the long-range isotropic terms

Examples: (all assume radius = 1)

-
pair_style lubricateU 1.5 1 2.01 2.5 0.01
+
pair_style lubricateU 1.5 1 2.01 2.5 0.01 1 1
 pair_coeff 1 1 2.05 2.8
 pair_coeff * * 
 
@@ -44,16 +46,22 @@ Melrose)

which represents the dissipation W between two nearby particles due to their relative velocities in the presence of a background solvent with -viscosity mu. Note that this is dynamic viscosity which has units of +viscosity mu. Note that this is dynamic viscosity which has units of mass/distance/time, not kinematic viscosity.

-

The Asq (squeeze) term is the strongest and is always included. It -scales as 1/gap where gap is the separation between the surfaces of -the 2 particles. The Ash (shear) and Apu (pump) terms are only -include if flaglog is set to 1. Thy are the next strongest -interactions, and the only other singular interaction, and scale as -log(gap). The Atw (twist) term is currently not included. It is -typically a very small contribution to the lubrication forces. +

The Asq (squeeze) term is the strongest and is included as long as +flagHI is set to 1 (default). It scales as 1/gap where gap is the +separation between the surfaces of the 2 particles. The Ash (shear) +and Apu (pump) terms are only included if flaglog is set to 1. They +are the next strongest interactions, and the only other singular +interaction, and scale as log(gap). Note that flaglog = 1 and +flagHI = 0 is invalid, and will result in a warning message, after +which flagHI will be set to 1. The Atw (twist) term is currently not +included. It is typically a very small contribution to the lubrication +forces. +

+

The flagHI and flagVF settings are optional. Neither should be +used, or both must be defined.

Cutinner sets the minimum center-to-center separation that will be used in calculations irrespective of the actual separation. Cutoff @@ -68,11 +76,12 @@ solved to balance the forces and torques is

where U represents the velocities and angular velocities of the -particles, Uinfty represents the velocities and the angular -velocities of the undisturbed fluid, and Einfty represents the rate -of strain tensor of the undisturbed fluid flow with viscosity mu. -Again, note that this is dynamic viscosity which has units of -mass/distance/time, not kinematic viscosity. +particles, U^infty represents the velocities and the angular +velocities of the undisturbed fluid, and E^infty represents the rate +of strain tensor of the undisturbed fluid flow with viscosity +mu. Again, note that this is dynamic viscosity which has units of +mass/distance/time, not kinematic viscosity. Volume fraction +corrections to R_FU are included if flagVF is set to 1 (default).

Frest represents the forces and torques due to all other types of interactions, e.g. Brownian, electrostatic etc. Note that this @@ -104,14 +113,28 @@ reset by the time integration fix.

If the suspension is sheared via the fix deform command then the pair style uses the shear rate to adjust the -hydrodynamic interactions accordingly. +hydrodynamic interactions accordingly. Volume changes due to fix +deform are accounted for when computing the volume fraction +corrections to R_FU. +

+

When computing the volume fraction corrections to R_FU, the presence +of walls (whether moving or stationary) will affect the volume +fraction available to colloidal particles. This is currently accounted +for with the following types of walls: wall/lj93, +wall/lj126, wall/colloid, and +"wall/harmonic_fix_wall.html". For these wall styles, the correct +volume fraction will be used when walls do not coincide with the box +boundary, as well as when walls move and thereby cause a change in the +volume fraction. To use these wall styles with pair_style lubricateU +or lubricateU/poly, the fld yes option must be specified in the +fix wall command.

Since lubrication forces are dissipative, it is usually desirable to -thermostat the system at a constant temperature. If Brownian motion +thermostat the system at a constant temperature. If Brownian motion (at a constant temperature) is desired, it can be set using the -pair_style brownian command. These pair styles -and the brownian style should use consistent parameters for mu, -flaglog, flagfld = 1, cutinner, and cutoff. +pair_style brownian command. These pair styles +and the brownian style should use consistent parameters for mu, +flaglog, flagfld, cutinner, cutoff, flagHI and flagVF.


@@ -166,8 +189,8 @@ LAMMPS section for more info. forces/torques on the particles have been already been computed when it is invoked. This requires this style to be defined as the last of the pair styles, and that no fixes apply additional constraint forces. -One exception is the fix wall/colloid command, which -has an "fld" option to apply its wall forces correctly. +One exception is the fix wall/colloid commands, which +has an "fld" option to apply their wall forces correctly.

Only spherical monodisperse particles are allowed for pair_style lubricateU. @@ -184,7 +207,10 @@ deform with the same rate of shear (erate).

pair_coeff, pair_style lubricate

-

Default: none +

Default: +

+

The default settings for the optional args are flagHI = 1 and flagVF = +1.


diff --git a/doc/pair_lubricateU.txt b/doc/pair_lubricateU.txt index 2cac5cbd82..f22843bdc5 100644 --- a/doc/pair_lubricateU.txt +++ b/doc/pair_lubricateU.txt @@ -11,18 +11,20 @@ pair_style lubricateU/poly command :h3 [Syntax:] -pair_style style mu flaglog cutinner cutoff gdot :pre +pair_style style mu flaglog cutinner cutoff gdot flagHI flagVF :pre style = {lubricateU} or {lubricateU/poly} mu = dynamic viscosity (dynamic viscosity units) flaglog = 0/1 log terms in the lubrication approximation on/off cutinner = inner cut off distance (distance units) cutoff = outer cutoff for interactions (distance units) -gdot = shear rate (1/time units) :ul +gdot = shear rate (1/time units) +flagHI (optional) = 0/1 to include/exclude 1/r hydrodynamic interactions +flagVF (optional) = 0/1 to include/exclude volume fraction corrections in the long-range isotropic terms :ul [Examples:] (all assume radius = 1) -pair_style lubricateU 1.5 1 2.01 2.5 0.01 +pair_style lubricateU 1.5 1 2.01 2.5 0.01 1 1 pair_coeff 1 1 2.05 2.8 pair_coeff * * :pre @@ -40,16 +42,22 @@ Melrose)"_#Ball which represents the dissipation W between two nearby particles due to their relative velocities in the presence of a background solvent with -viscosity mu. Note that this is dynamic viscosity which has units of +viscosity {mu}. Note that this is dynamic viscosity which has units of mass/distance/time, not kinematic viscosity. -The Asq (squeeze) term is the strongest and is always included. It -scales as 1/gap where gap is the separation between the surfaces of -the 2 particles. The Ash (shear) and Apu (pump) terms are only -include if {flaglog} is set to 1. Thy are the next strongest -interactions, and the only other singular interaction, and scale as -log(gap). The Atw (twist) term is currently not included. It is -typically a very small contribution to the lubrication forces. +The Asq (squeeze) term is the strongest and is included as long as +{flagHI} is set to 1 (default). It scales as 1/gap where gap is the +separation between the surfaces of the 2 particles. The Ash (shear) +and Apu (pump) terms are only included if {flaglog} is set to 1. They +are the next strongest interactions, and the only other singular +interaction, and scale as log(gap). Note that {flaglog} = 1 and +{flagHI} = 0 is invalid, and will result in a warning message, after +which {flagHI} will be set to 1. The Atw (twist) term is currently not +included. It is typically a very small contribution to the lubrication +forces. + +The {flagHI} and {flagVF} settings are optional. Neither should be +used, or both must be defined. {Cutinner} sets the minimum center-to-center separation that will be used in calculations irrespective of the actual separation. {Cutoff} @@ -62,13 +70,14 @@ approximation, described in "(Kumar)"_#Kumar. The equation being solved to balance the forces and torques is :c,image(Eqs/fld2.jpg) - + where U represents the velocities and angular velocities of the -particles, U{infty} represents the velocities and the angular -velocities of the undisturbed fluid, and E{infty} represents the rate -of strain tensor of the undisturbed fluid flow with viscosity mu. -Again, note that this is dynamic viscosity which has units of -mass/distance/time, not kinematic viscosity. +particles, U^{infty} represents the velocities and the angular +velocities of the undisturbed fluid, and E^{infty} represents the rate +of strain tensor of the undisturbed fluid flow with viscosity +{mu}. Again, note that this is dynamic viscosity which has units of +mass/distance/time, not kinematic viscosity. Volume fraction +corrections to R_FU are included if {flagVF} is set to 1 (default). F{rest} represents the forces and torques due to all other types of interactions, e.g. Brownian, electrostatic etc. Note that this @@ -100,14 +109,28 @@ Style {lubricateU} requires monodisperse spherical particles; style If the suspension is sheared via the "fix deform"_fix_deform.html command then the pair style uses the shear rate to adjust the -hydrodynamic interactions accordingly. +hydrodynamic interactions accordingly. Volume changes due to fix +deform are accounted for when computing the volume fraction +corrections to R_FU. + +When computing the volume fraction corrections to R_FU, the presence +of walls (whether moving or stationary) will affect the volume +fraction available to colloidal particles. This is currently accounted +for with the following types of walls: "wall/lj93"_fix_wall.html, +"wall/lj126"_fix_wall.html, "wall/colloid"_fix_wall.html, and +"wall/harmonic_fix_wall.html". For these wall styles, the correct +volume fraction will be used when walls do not coincide with the box +boundary, as well as when walls move and thereby cause a change in the +volume fraction. To use these wall styles with pair_style {lubricateU} +or {lubricateU/poly}, the {fld yes} option must be specified in the +fix wall command. Since lubrication forces are dissipative, it is usually desirable to -thermostat the system at a constant temperature. If Brownian motion +thermostat the system at a constant temperature. If Brownian motion (at a constant temperature) is desired, it can be set using the -"pair_style brownian"_pair_brownian.html command. These pair styles -and the {brownian} style should use consistent parameters for {mu}, -{flaglog}, {flagfld = 1}, {cutinner}, and {cutoff}. +"pair_style brownian"_pair_brownian.html command. These pair styles +and the brownian style should use consistent parameters for {mu}, +{flaglog}, {flagfld}, {cutinner}, {cutoff}, {flagHI} and {flagVF}. :line @@ -162,8 +185,8 @@ Currently, these pair styles assume that all other types of forces/torques on the particles have been already been computed when it is invoked. This requires this style to be defined as the last of the pair styles, and that no fixes apply additional constraint forces. -One exception is the "fix wall/colloid"_fix_wall.html command, which -has an "fld" option to apply its wall forces correctly. +One exception is the "fix wall/colloid"_fix_wall.html commands, which +has an "fld" option to apply their wall forces correctly. Only spherical monodisperse particles are allowed for pair_style lubricateU. @@ -180,7 +203,10 @@ deform"_fix_deform.html with the same rate of shear (erate). "pair_coeff"_pair_coeff.html, "pair_style lubricate"_pair_lubricate.html -[Default:] none +[Default:] + +The default settings for the optional args are flagHI = 1 and flagVF = +1. :line