diff --git a/doc/Section_commands.html b/doc/Section_commands.html index ef25fef056..fccd937ffb 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -376,18 +376,18 @@ potentials. Click on the style itself for a full description: nonehybridhybrid/overlayairebo born/coul/longbuckbuck/coul/cutbuck/coul/long colloidcoul/cutcoul/debyecoul/long -dipole/cutdpddsmceam -eam/opteam/alloyeam/alloy/opteam/fs -eam/fs/optgaybernegayberne/gpugran/hertz/history -gran/hookegran/hooke/historylj/charmm/coul/charmmlj/charmm/coul/charmm/implicit -lj/charmm/coul/longlj/charmm/coul/long/optlj/class2lj/class2/coul/cut -lj/class2/coul/longlj/cutlj/cut/gpulj/cut/opt -lj/cut/coul/cutlj/cut/coul/debyelj/cut/coul/longlj/cut/coul/long/tip4p -lj/expandlj/gromacslj/gromacs/coul/gromacslj/smooth -lj96/cutlubricatemeammorse -morse/optperi/pmbreaxresquared -softswtabletersoff -tersoff/zblyukawayukawa/colloid +dipole/cutdpddpd/tstatdsmc +eameam/opteam/alloyeam/alloy/opt +eam/fseam/fs/optgaybernegayberne/gpu +gran/hertz/historygran/hookegran/hooke/historylj/charmm/coul/charmm +lj/charmm/coul/charmm/implicitlj/charmm/coul/longlj/charmm/coul/long/optlj/class2 +lj/class2/coul/cutlj/class2/coul/longlj/cutlj/cut/gpu +lj/cut/optlj/cut/coul/cutlj/cut/coul/debyelj/cut/coul/long +lj/cut/coul/long/tip4plj/expandlj/gromacslj/gromacs/coul/gromacs +lj/smoothlj96/cutlubricatemeam +morsemorse/optperi/pmbreax +resquaredsoftswtable +tersofftersoff/zblyukawayukawa/colloid

These are pair styles contributed by users, which can be used if diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 5ec161e042..821e23e9c8 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -538,6 +538,7 @@ potentials. Click on the style itself for a full description: "coul/long"_pair_coul.html, "dipole/cut"_pair_dipole.html, "dpd"_pair_dpd.html, +"dpd/tstat"_pair_dpd.html, "dsmc"_pair_dsmc.html, "eam"_pair_eam.html, "eam/opt"_pair_eam.html, diff --git a/doc/Section_howto.html b/doc/Section_howto.html index 7aff4366c9..ef1d0367ef 100644 --- a/doc/Section_howto.html +++ b/doc/Section_howto.html @@ -1262,9 +1262,11 @@ that subtracts a velocity bias. This allows the translational velocity of extended spherical or aspherical particles to be adjusted in prescribed ways.

-

Thermostatting in LAMMPS is performed by fixes. Four -thermostatting fixes are currently available: Nose-Hoover (nvt), -Berendsen, Langevin, and direct rescaling (temp/rescale): +

Thermostatting in LAMMPS is performed by fixes, or in one +case by a pair style. Four thermostatting fixes are currently +available: Nose-Hoover (nvt), Berendsen, Langevin, and direct +rescaling (temp/rescale). Dissipative particle dynamics (DPD) +thermostatting can be invoked via the dpd/tstat pair style:

Fix nvt only thermostats the translational velocity of particles. Fix nvt/sllod also does this, except @@ -1284,15 +1287,20 @@ nvt/asphere thermostat not only translation velocities but also rotational velocities for spherical and aspherical particles.

-

Any of these fixes can use temperature computes that remove bias for -two purposes: (a) computing the current temperature to compare to the -requested target temperature, and (b) adjusting only the thermal -temperature component of the particle's velocities. See the doc pages -for the individual fixes and for the fix_modify -command for instructions on how to assign a temperature compute to a -thermostatting fix. For example, you can apply a thermostat to only -the x and z components of velocity by using it in conjunction with -compute temp/partial. +

DPD thermostatting alters pairwise interactions in a manner analagous +to the per-particle thermostatting of fix +langevin. +

+

Any of the thermostatting fixes can use temperature computes that +remove bias for two purposes: (a) computing the current temperature to +compare to the requested target temperature, and (b) adjusting only +the thermal temperature component of the particle's velocities. See +the doc pages for the individual fixes and for the +fix_modify command for instructions on how to assign +a temperature compute to a thermostatting fix. For example, you can +apply a thermostat to only the x and z components of velocity by using +it in conjunction with compute +temp/partial.

IMPORTANT NOTE: Only the nvt fixes perform time integration, meaning they update the velocities and positions of particles due to forces diff --git a/doc/Section_howto.txt b/doc/Section_howto.txt index c6000a0388..ba5e855d24 100644 --- a/doc/Section_howto.txt +++ b/doc/Section_howto.txt @@ -1251,9 +1251,11 @@ that subtracts a velocity bias. This allows the translational velocity of extended spherical or aspherical particles to be adjusted in prescribed ways. -Thermostatting in LAMMPS is performed by "fixes"_fix.html. Four -thermostatting fixes are currently available: Nose-Hoover (nvt), -Berendsen, Langevin, and direct rescaling (temp/rescale): +Thermostatting in LAMMPS is performed by "fixes"_fix.html, or in one +case by a pair style. Four thermostatting fixes are currently +available: Nose-Hoover (nvt), Berendsen, Langevin, and direct +rescaling (temp/rescale). Dissipative particle dynamics (DPD) +thermostatting can be invoked via the {dpd/tstat} pair style: "fix nvt"_fix_nh.html "fix nvt/sphere"_fix_nvt_sphere.html @@ -1261,7 +1263,8 @@ Berendsen, Langevin, and direct rescaling (temp/rescale): "fix nvt/sllod"_fix_nvt_sllod.html "fix temp/berendsen"_fix_temp_berendsen.html "fix langevin"_fix_langevin.html -"fix temp/rescale"_fix_temp_rescale.html :ul +"fix temp/rescale"_fix_temp_rescale.html +"pair_style dpd/tstat"_pair_dpd.html :ul "Fix nvt"_fix_nh.html only thermostats the translational velocity of particles. "Fix nvt/sllod"_fix_nvt_sllod.html also does this, except @@ -1273,15 +1276,20 @@ nvt/asphere"_fix_nvt_asphere.html thermostat not only translation velocities but also rotational velocities for spherical and aspherical particles. -Any of these fixes can use temperature computes that remove bias for -two purposes: (a) computing the current temperature to compare to the -requested target temperature, and (b) adjusting only the thermal -temperature component of the particle's velocities. See the doc pages -for the individual fixes and for the "fix_modify"_fix_modify.html -command for instructions on how to assign a temperature compute to a -thermostatting fix. For example, you can apply a thermostat to only -the x and z components of velocity by using it in conjunction with -"compute temp/partial"_compute_temp_partial.html. +DPD thermostatting alters pairwise interactions in a manner analagous +to the per-particle thermostatting of "fix +langevin"_fix_langevin.html. + +Any of the thermostatting fixes can use temperature computes that +remove bias for two purposes: (a) computing the current temperature to +compare to the requested target temperature, and (b) adjusting only +the thermal temperature component of the particle's velocities. See +the doc pages for the individual fixes and for the +"fix_modify"_fix_modify.html command for instructions on how to assign +a temperature compute to a thermostatting fix. For example, you can +apply a thermostat to only the x and z components of velocity by using +it in conjunction with "compute +temp/partial"_compute_temp_partial.html. IMPORTANT NOTE: Only the nvt fixes perform time integration, meaning they update the velocities and positions of particles due to forces diff --git a/doc/Section_tools.html b/doc/Section_tools.html index 59cf12fd91..f4fb38d1b7 100644 --- a/doc/Section_tools.html +++ b/doc/Section_tools.html @@ -207,11 +207,10 @@ Kohlmeyer (akohlmey at cmm.chem.upenn.edu) at U Penn.

The matlab sub-directory contains several MATLAB scripts for post-processing LAMMPS output. The scripts include readers for log -and dump files, a reader for radial distribution output from the fix -rdf command, a reader for EAM potential files, and a -converter that reads LAMMPS dump files and produces CFG files that can -be visualized with the -AtomEye visualizer. +and dump files, a reader for EAM potential files, and a converter that +reads LAMMPS dump files and produces CFG files that can be visualized +with the AtomEye +visualizer.

See the README.pdf file for more information.

diff --git a/doc/Section_tools.txt b/doc/Section_tools.txt index 1fbf364ba9..f3cfb5d77f 100644 --- a/doc/Section_tools.txt +++ b/doc/Section_tools.txt @@ -203,11 +203,10 @@ matlab tool :h4,link(matlab) The matlab sub-directory contains several "MATLAB"_matlab scripts for post-processing LAMMPS output. The scripts include readers for log -and dump files, a reader for radial distribution output from the "fix -rdf"_fix_rdf.html command, a reader for EAM potential files, and a -converter that reads LAMMPS dump files and produces CFG files that can -be visualized with the -"AtomEye"_http://164.107.79.177/Archive/Graphics/A visualizer. +and dump files, a reader for EAM potential files, and a converter that +reads LAMMPS dump files and produces CFG files that can be visualized +with the "AtomEye"_http://164.107.79.177/Archive/Graphics/A +visualizer. See the README.pdf file for more information. diff --git a/doc/fix_langevin.html b/doc/fix_langevin.html index b6f95ce7f5..8d54104a71 100644 --- a/doc/fix_langevin.html +++ b/doc/fix_langevin.html @@ -58,7 +58,10 @@ Fr is proportional to sqrt(Kb T m / (dt damp)) interactions (pair_style, bond_style, etc).

-

The Ff and Fr terms are added by this fix. +

The Ff and Fr terms are added by this fix on a per-particle basis. +See the pair_style dpd/tstat command for a +thermostatting option that adds similar terms on a pairwise basis to +pairs of interacting particles.

Ff is a frictional drag or viscous damping term proportional to the particle's velocity. The proportionality constant for each atom is @@ -188,7 +191,8 @@ quantity requires setting the tally keyword to yes.

Related commands:

fix nvt, fix temp/rescale, fix -viscous, fix nvt +viscous, fix nvt, pair_style +dpd/tstat

Default:

diff --git a/doc/fix_langevin.txt b/doc/fix_langevin.txt index 858df53296..f693f7fbc2 100644 --- a/doc/fix_langevin.txt +++ b/doc/fix_langevin.txt @@ -48,7 +48,10 @@ Fc is the conservative force computed via the usual inter-particle interactions ("pair_style"_pair_style.html, "bond_style"_bond_style.html, etc). -The Ff and Fr terms are added by this fix. +The Ff and Fr terms are added by this fix on a per-particle basis. +See the "pair_style dpd/tstat"_pair_dpd.html command for a +thermostatting option that adds similar terms on a pairwise basis to +pairs of interacting particles. Ff is a frictional drag or viscous damping term proportional to the particle's velocity. The proportionality constant for each atom is @@ -178,7 +181,8 @@ This fix is not invoked during "energy minimization"_minimize.html. [Related commands:] "fix nvt"_fix_nh.html, "fix temp/rescale"_fix_temp_rescale.html, "fix -viscous"_fix_viscous.html, "fix nvt"_fix_nh.html +viscous"_fix_viscous.html, "fix nvt"_fix_nh.html, "pair_style +dpd/tstat"_pair_dpd.html [Default:] diff --git a/doc/pair_coeff.html b/doc/pair_coeff.html index d00d2af59d..dd5042e89f 100644 --- a/doc/pair_coeff.html +++ b/doc/pair_coeff.html @@ -98,6 +98,7 @@ the pair_style command, and coefficients specified by the associated
  • pair_style coul/long - long-range Coulombic potential
  • pair_style dipole/cut - point dipoles with cutoff
  • pair_style dpd - dissipative particle dynamics (DPD) +
  • pair_style dpd/tstat - DPD thermostatting
  • pair_style dsmc - Direct Simulation Monte Carlo (DSMC)
  • pair_style eam - embedded atom method (EAM)
  • pair_style eam/opt - optimized version of EAM diff --git a/doc/pair_coeff.txt b/doc/pair_coeff.txt index c8cb33d487..650dee6eda 100644 --- a/doc/pair_coeff.txt +++ b/doc/pair_coeff.txt @@ -95,6 +95,7 @@ the pair_style command, and coefficients specified by the associated "pair_style coul/long"_pair_coul.html - long-range Coulombic potential "pair_style dipole/cut"_pair_dipole.html - point dipoles with cutoff "pair_style dpd"_pair_dpd.html - dissipative particle dynamics (DPD) +"pair_style dpd/tstat"_pair_dpd.html - DPD thermostatting "pair_style dsmc"_pair_dsmc.html - Direct Simulation Monte Carlo (DSMC) "pair_style eam"_pair_eam.html - embedded atom method (EAM) "pair_style eam/opt"_pair_eam.html - optimized version of EAM diff --git a/doc/pair_dpd.html b/doc/pair_dpd.html index 136a47fc9e..ffed143963 100644 --- a/doc/pair_dpd.html +++ b/doc/pair_dpd.html @@ -11,11 +11,15 @@

    pair_style dpd command

    +

    pair_style dpd/tstat command +

    Syntax:

    -
    pair_style dpd T cutoff seed 
+
    pair_style dpd T cutoff seed
+pair_style dpd/tstat Tstart Tstop cutoff seed 
 
    
 
@@ -25,11 +29,27 @@
 pair_coeff * * 3.0 1.0
 pair_coeff 1 1 3.0 1.0 1.0
    +
    pair_style dpd/tstat 1.0 1.0 2.5 34387
+pair_coeff * * 1.0
+pair_coeff 1 1 1.0 1.0 
+

    Description:

    Style dpd computes a force field for dissipative particle dynamics -(DPD) following the exposition in (Groot). The force -on atom I due to atom J is given as a sum of 3 terms +(DPD) following the exposition in (Groot). +

    +

    Style dpd/tstat invokes a DPD thermostat on pairwise interactions, +which is equivalent to the non-conservative portion of the DPD force +field. This thermostat can be used in conjunction with any pair +style, and in leiu of per-particle thermostats +like fix langevin or ensemble thermostats like +Nose Hoover as implemented by fix nvt. To use +dpd/stat with another pair style, use the pair_style +hybrid/overlay command to compute both the desired +pair interaction and the thermostat for each pair of particles. +

    +

    For style dpd, the force on atom I due to atom J is given as a sum +of 3 terms

    @@ -42,12 +62,19 @@ the timestep size, and w(r) is a weighting factor that varies between where Kb is the Boltzmann constant and T is the temperature parameter in the pair_style command.

    -

    The pairwise energy associated with this potential is only due to the -conservative force term Fc. +

    For style dpd/tstat, the force on atom I due to atom J is the same +as the above equation, except that the conservative Fc term is +dropped. Also, during the run, T is set each timestep to a ramped +value from Tstart to Tstop.

    -

    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 +

    For style dpd, the pairwise energy associated with style dpd is +only due to the conservative force term Fc. The pairwise virial is +calculated using all 3 terms. For style dpd/tstat there is no +pairwise energy or virial. +

    +

    For style dpd, 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 read_data or read_restart commands:

    @@ -60,24 +87,28 @@ cutoff is used. Note that sigma is set equal to sqrt(2 T gamma), where T is the temperature set by the pair_style command so it does not need to be specified.

    +

    For style dpd/tstat, the coefficiencts defined for each pair of +atoms types via the pair_coeff command is the same, +except that A is not included. +

    Mixing, shift, table, tail correction, restart, rRESPA info:

    -

    This pair style does not support mixing. Thus, coefficients for all +

    These pair styles do not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly.

    -

    This pair style does not support the pair_modify +

    These pair styles do not support the pair_modify shift option for the energy of the pair interaction.

    The pair_modify table option is not relevant -for this pair style. +for these pair styles.

    -

    This pair style does not support the pair_modify +

    These pair style do not support the pair_modify tail option for adding long-range tail corrections to energy and pressure.

    -

    This pair style writes its information to binary restart +

    These pair styles writes their information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. Note that the user-specified random number seed is stored in the restart @@ -87,29 +118,35 @@ initially. This means the random forces will be random, but will not be the same as they would have been if the original simulation had continued past the restart time.

    -

    This pair style can only be used via the pair keyword of the -run_style respa command. It does not support the +

    These pair styles can only be used via the pair keyword of the +run_style respa command. They do not support the inner, middle, outer keywords.

    +

    The dpd/tstat style can ramp its target temperature over multiple +runs, using the start and stop keywords of the run +command. See the run command for details of how to do +this. +

    Restrictions:

    The default frequency for rebuilding neighbor lists is every 10 steps (see the neigh_modify command). This may be too -infrequent for DPD simulations since particles move rapidly and can -overlap by large amounts. If this setting yields a non-zero number of -"dangerous" reneighborings (printed at the end of a simulation), you -should experiment with forcing reneighboring more often and see if -system energies/trajectories change. +infrequent for style dpd simulations since particles move rapidly +and can overlap by large amounts. If this setting yields a non-zero +number of "dangerous" reneighborings (printed at the end of a +simulation), you should experiment with forcing reneighboring more +often and see if system energies/trajectories change.

    -

    This pair style requires you to use the communicate vel +

    These pair styles requires you to use the communicate vel yes option so that velocites are stored by ghost atoms.

    Related commands:

    -

    pair_coeff +

    pair_coeff, fix nvt, fix +langevin

    Default: none

    diff --git a/doc/pair_dpd.txt b/doc/pair_dpd.txt index 292e82b498..e892511150 100644 --- a/doc/pair_dpd.txt +++ b/doc/pair_dpd.txt @@ -7,12 +7,15 @@ :line pair_style dpd command :h3 +pair_style dpd/tstat command :h3 [Syntax:] -pair_style dpd T cutoff seed :pre +pair_style dpd T cutoff seed +pair_style dpd/tstat Tstart Tstop cutoff seed :pre T = temperature (temperature units) +Tstart,Tstop = desired temperature at start/end of run (temperature units) cutoff = global cutoff for DPD interactions (distance units) seed = random # seed (positive integer) :ul @@ -22,11 +25,27 @@ pair_style dpd 1.0 2.5 34387 pair_coeff * * 3.0 1.0 pair_coeff 1 1 3.0 1.0 1.0 :pre +pair_style dpd/tstat 1.0 1.0 2.5 34387 +pair_coeff * * 1.0 +pair_coeff 1 1 1.0 1.0 :pre + [Description:] Style {dpd} computes a force field for dissipative particle dynamics -(DPD) following the exposition in "(Groot)"_#Groot. The force -on atom I due to atom J is given as a sum of 3 terms +(DPD) following the exposition in "(Groot)"_#Groot. + +Style {dpd/tstat} invokes a DPD thermostat on pairwise interactions, +which is equivalent to the non-conservative portion of the DPD force +field. This thermostat can be used in conjunction with any "pair +style"_doc/pair_style.html, and in leiu of per-particle thermostats +like "fix langevin"_fix_langevin.html or ensemble thermostats like +Nose Hoover as implemented by "fix nvt"_fix_nvt.html. To use +{dpd/stat} with another pair style, use the "pair_style +hybrid/overlay"_pair_hybrid.html command to compute both the desired +pair interaction and the thermostat for each pair of particles. + +For style {dpd}, the force on atom I due to atom J is given as a sum +of 3 terms :c,image(Eqs/pair_dpd.jpg) @@ -39,12 +58,19 @@ the timestep size, and w(r) is a weighting factor that varies between where Kb is the Boltzmann constant and T is the temperature parameter in the pair_style command. -The pairwise energy associated with this potential is only due to the -conservative force term Fc. +For style {dpd/tstat}, the force on atom I due to atom J is the same +as the above equation, except that the conservative Fc term is +dropped. Also, during the run, T is set each timestep to a ramped +value from Tstart to Tstop. -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 +For style {dpd}, the pairwise energy associated with style {dpd} is +only due to the conservative force term Fc. The pairwise virial is +calculated using all 3 terms. For style {dpd/tstat} there is no +pairwise energy or virial. + +For style {dpd}, 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 "read_data"_read_data.html or "read_restart"_read_restart.html commands: @@ -57,24 +83,28 @@ cutoff is used. Note that sigma is set equal to sqrt(2 T gamma), where T is the temperature set by the "pair_style"_pair_style.html command so it does not need to be specified. +For style {dpd/tstat}, the coefficiencts defined for each pair of +atoms types via the "pair_coeff"_pair_coeff.html command is the same, +except that A is not included. + :line [Mixing, shift, table, tail correction, restart, rRESPA info]: -This pair style does not support mixing. Thus, coefficients for all +These pair styles do not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. -This pair style does not support the "pair_modify"_pair_modify.html +These pair styles do not support the "pair_modify"_pair_modify.html shift option for the energy of the pair interaction. The "pair_modify"_pair_modify.html table option is not relevant -for this pair style. +for these pair styles. -This pair style does not support the "pair_modify"_pair_modify.html +These pair style do not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style writes its information to "binary restart +These pair styles writes their information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. Note that the user-specified random number seed is stored in the restart @@ -84,29 +114,35 @@ initially. This means the random forces will be random, but will not be the same as they would have been if the original simulation had continued past the restart time. -This pair style can only be used via the {pair} keyword of the -"run_style respa"_run_style.html command. It does not support the +These pair styles can only be used via the {pair} keyword of the +"run_style respa"_run_style.html command. They do not support the {inner}, {middle}, {outer} keywords. +The {dpd/tstat} style can ramp its target temperature over multiple +runs, using the {start} and {stop} keywords of the "run"_run.html +command. See the "run"_run.html command for details of how to do +this. + :line [Restrictions:] The default frequency for rebuilding neighbor lists is every 10 steps (see the "neigh_modify"_neigh_modify.html command). This may be too -infrequent for DPD simulations since particles move rapidly and can -overlap by large amounts. If this setting yields a non-zero number of -"dangerous" reneighborings (printed at the end of a simulation), you -should experiment with forcing reneighboring more often and see if -system energies/trajectories change. +infrequent for style {dpd} simulations since particles move rapidly +and can overlap by large amounts. If this setting yields a non-zero +number of "dangerous" reneighborings (printed at the end of a +simulation), you should experiment with forcing reneighboring more +often and see if system energies/trajectories change. -This pair style requires you to use the "communicate vel +These pair styles requires you to use the "communicate vel yes"_communicate.html option so that velocites are stored by ghost atoms. [Related commands:] -"pair_coeff"_pair_coeff.html +"pair_coeff"_pair_coeff.html, "fix nvt"_fix_nvt.html, "fix +langevin"_fix_langevin.html [Default:] none diff --git a/doc/pair_style.html b/doc/pair_style.html index 4cda8b4704..3f455dd6fc 100644 --- a/doc/pair_style.html +++ b/doc/pair_style.html @@ -100,6 +100,7 @@ the pair_style command, and coefficients specified by the associated
  • pair_style coul/long - long-range Coulombic potential
  • pair_style dipole/cut - point dipoles with cutoff
  • pair_style dpd - dissipative particle dynamics (DPD) +
  • pair_style dpd/tstat - DPD thermostatting
  • pair_style dsmc - Direct Simulation Monte Carlo (DSMC)
  • pair_style eam - embedded atom method (EAM)
  • pair_style eam/opt - optimized version of EAM diff --git a/doc/pair_style.txt b/doc/pair_style.txt index a60b9e134b..98a04f242a 100644 --- a/doc/pair_style.txt +++ b/doc/pair_style.txt @@ -97,6 +97,7 @@ the pair_style command, and coefficients specified by the associated "pair_style coul/long"_pair_coul.html - long-range Coulombic potential "pair_style dipole/cut"_pair_dipole.html - point dipoles with cutoff "pair_style dpd"_pair_dpd.html - dissipative particle dynamics (DPD) +"pair_style dpd/tstat"_pair_dpd.html - DPD thermostatting "pair_style dsmc"_pair_dsmc.html - Direct Simulation Monte Carlo (DSMC) "pair_style eam"_pair_eam.html - embedded atom method (EAM) "pair_style eam/opt"_pair_eam.html - optimized version of EAM