These are accelerated fix styles, which can be used if LAMMPS is @@ -391,8 +392,8 @@ each style or click on the style itself for a full description: package.
| ackland/atom | ke/eff | ke/atom/eff | temp/eff | temp/deform/eff | temp/region/eff |
| temp/rotate + | |||||
| ackland/atom | ke/eff | ke/atom/eff | meso_e/atom | meso_rho/atom | meso_t/atom |
| temp/eff | temp/deform/eff | temp/region/eff | temp/rotate |
These are accelerated compute styles, which can be used if LAMMPS is @@ -436,7 +437,8 @@ package.
| awpmd/cut | buck/coul | cg/cmm | cg/cmm/coul/cut |
| cg/cmm/coul/long | dipole/sf | eam/cd | eff/cut |
| lj/coul | lj/sf | reax/c + | |
| lj/coul | lj/sf | reax/csph/heatconduction | sph/idealgas |
| sph/lj | sph/rhosum | sph/taitwater | sph/taitwater/morris |
These are accelerated pair styles, which can be used if LAMMPS is diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 496a5582fa..9ff3449d51 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -487,6 +487,8 @@ package"_Section_start.html#start_3. "atc"_fix_atc.html, "imd"_fix_imd.html, "langevin/eff"_fix_langevin_eff.html, +"meso"_fix_meso.html, +"meso/stationary"_fix_meso_stationary.html, "nph/eff"_fix_nh_eff.html, "npt/eff"_fix_nh_eff.html, "nve/eff"_fix_nve_eff.html, @@ -578,6 +580,9 @@ package"_Section_start.html#start_3. "ackland/atom"_compute_ackland_atom.html, "ke/eff"_compute_ke_eff.html, "ke/atom/eff"_compute_ke_atom_eff.html, +"meso_e/atom"_compute_meso_e_atom.html, +"meso_rho/atom"_compute_meso_rho_atom.html, +"meso_t/atom"_compute_meso_t_atom.html, "temp/eff"_compute_temp_eff.html, "temp/deform/eff"_compute_temp_deform_eff.html, "temp/region/eff"_compute_temp_region_eff.html, @@ -675,7 +680,13 @@ package"_Section_start.html#start_3. "eff/cut"_pair_eff.html, "lj/coul"_pair_lj_coul.html, "lj/sf"_pair_lj_sf.html, -"reax/c"_pair_reax_c.html :tb(c=4,ea=c) +"reax/c"_pair_reax_c.html +"sph/heatconduction"_pair_heatconduction.html, +"sph/idealgas"_pair_idealgas.html, +"sph/lj"_pair_lj.html, +"sph/rhosum"_pair_rhosum.html, +"sph/taitwater"_pair_taitwater.html, +"sph/taitwater/morris"_pair_taitwater_morris.html :tb(c=4,ea=c) These are accelerated pair styles, which can be used if LAMMPS is built with the "appropriate accelerated diff --git a/doc/compute_meso_e_atom.html b/doc/compute_meso_e_atom.html new file mode 100644 index 0000000000..85c435232f --- /dev/null +++ b/doc/compute_meso_e_atom.html @@ -0,0 +1,54 @@ + +
Syntax: +
+compute ID group-ID meso_e/atom ++
Examples: +
+compute 1 all meso_e/atom ++
Description: +
+Define a computation that calculates the per-atom internal energy +for each atom in a group. +
+The internal energy is the energy associated with the internal degrees +of freedom of a mesoscopic particles, e.g. a Smooth-Particle +Hydrodynamics particle. +
+The value of the internal energy will be 0.0 for atoms not in the +specified compute group. +
+Output info: +
+This compute calculates a per-atom vector, which can be accessed by +any command that uses per-atom values from a compute as input. See +this section for an overview of LAMMPS +output options. +
+The per-atom vector values will be in energy units. +
+Restrictions: none +
+Related commands: +
+ +Default: none +
+ diff --git a/doc/compute_meso_e_atom.txt b/doc/compute_meso_e_atom.txt new file mode 100644 index 0000000000..e1ef49f22b --- /dev/null +++ b/doc/compute_meso_e_atom.txt @@ -0,0 +1,49 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +compute meso_e/atom command :h3 + +[Syntax:] + +compute ID group-ID meso_e/atom :pre + +ID, group-ID are documented in "compute"_compute.html command +meso_e/atom = style name of this compute command :ul + +[Examples:] + +compute 1 all meso_e/atom :pre + +[Description:] + +Define a computation that calculates the per-atom internal energy +for each atom in a group. + +The internal energy is the energy associated with the internal degrees +of freedom of a mesoscopic particles, e.g. a Smooth-Particle +Hydrodynamics particle. + +The value of the internal energy will be 0.0 for atoms not in the +specified compute group. + +[Output info:] + +This compute calculates a per-atom vector, which can be accessed by +any command that uses per-atom values from a compute as input. See +"this section"_Section_howto.html#4_15 for an overview of LAMMPS +output options. + +The per-atom vector values will be in energy "units"_units.html. + +[Restrictions:] none + +[Related commands:] + +"dump custom"_dump.html + +[Default:] none diff --git a/doc/compute_meso_rho_atom.html b/doc/compute_meso_rho_atom.html new file mode 100644 index 0000000000..259664bc2f --- /dev/null +++ b/doc/compute_meso_rho_atom.html @@ -0,0 +1,54 @@ + +Syntax: +
+compute ID group-ID meso_rho/atom ++
Examples: +
+compute 1 all meso_rho/atom ++
Description: +
+Define a computation that calculates the per-atom mesoscopic density +for each atom in a group. +
+The mesoscopic density is the mass density of a mesoscopic particle, +calculated by kernel function interpolation using +"pair style sph/rhosum". +
+The value of the mesoscopic density will be 0.0 for atoms not in the +specified compute group. +
+Output info: +
+This compute calculates a per-atom vector, which can be accessed by +any command that uses per-atom values from a compute as input. See +this section for an overview of LAMMPS +output options. +
+The per-atom vector values will be in mass / volume units. +
+Restrictions: none +
+Related commands: +
+ +Default: none +
+ diff --git a/doc/compute_meso_rho_atom.txt b/doc/compute_meso_rho_atom.txt new file mode 100644 index 0000000000..573566ff70 --- /dev/null +++ b/doc/compute_meso_rho_atom.txt @@ -0,0 +1,49 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +compute meso_rho/atom command :h3 + +[Syntax:] + +compute ID group-ID meso_rho/atom :pre + +ID, group-ID are documented in "compute"_compute.html command +meso_rho/atom = style name of this compute command :ul + +[Examples:] + +compute 1 all meso_rho/atom :pre + +[Description:] + +Define a computation that calculates the per-atom mesoscopic density +for each atom in a group. + +The mesoscopic density is the mass density of a mesoscopic particle, +calculated by kernel function interpolation using +"pair style sph/rhosum". + +The value of the mesoscopic density will be 0.0 for atoms not in the +specified compute group. + +[Output info:] + +This compute calculates a per-atom vector, which can be accessed by +any command that uses per-atom values from a compute as input. See +"this section"_Section_howto.html#4_15 for an overview of LAMMPS +output options. + +The per-atom vector values will be in mass / volume "units"_units.html. + +[Restrictions:] none + +[Related commands:] + +"dump custom"_dump.html + +[Default:] none diff --git a/doc/compute_meso_t_atom.html b/doc/compute_meso_t_atom.html new file mode 100644 index 0000000000..6d4b141d72 --- /dev/null +++ b/doc/compute_meso_t_atom.html @@ -0,0 +1,56 @@ + +Syntax: +
+compute ID group-ID meso_t/atom ++
Examples: +
+compute 1 all meso_t/atom ++
Description: +
+Define a computation that calculates the per-atom internal temperature +for each atom in a group. +
+The internal temperature is the ratio of internal energy over the heat +capacity associated with the internal degrees of freedom of a mesoscopic +particles, e.g. a Smooth-Particle Hydrodynamics particle. +
+T_int = E_int / C_V, int +
+The value of the internal energy will be 0.0 for atoms not in the +specified compute group. +
+Output info: +
+This compute calculates a per-atom vector, which can be accessed by +any command that uses per-atom values from a compute as input. See +this section for an overview of LAMMPS +output options. +
+The per-atom vector values will be in temperature units. +
+Restrictions: none +
+Related commands: +
+ +Default: none +
+ diff --git a/doc/compute_meso_t_atom.txt b/doc/compute_meso_t_atom.txt new file mode 100644 index 0000000000..5b9110e24a --- /dev/null +++ b/doc/compute_meso_t_atom.txt @@ -0,0 +1,51 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +compute meso_t/atom command :h3 + +[Syntax:] + +compute ID group-ID meso_t/atom :pre + +ID, group-ID are documented in "compute"_compute.html command +meso_t/atom = style name of this compute command :ul + +[Examples:] + +compute 1 all meso_t/atom :pre + +[Description:] + +Define a computation that calculates the per-atom internal temperature +for each atom in a group. + +The internal temperature is the ratio of internal energy over the heat +capacity associated with the internal degrees of freedom of a mesoscopic +particles, e.g. a Smooth-Particle Hydrodynamics particle. + +T_{int} = E_{int} / C_{V, int} + +The value of the internal energy will be 0.0 for atoms not in the +specified compute group. + +[Output info:] + +This compute calculates a per-atom vector, which can be accessed by +any command that uses per-atom values from a compute as input. See +"this section"_Section_howto.html#4_15 for an overview of LAMMPS +output options. + +The per-atom vector values will be in temperature "units"_units.html. + +[Restrictions:] none + +[Related commands:] + +"dump custom"_dump.html + +[Default:] none diff --git a/doc/fix_meso.html b/doc/fix_meso.html new file mode 100644 index 0000000000..768ae4ac78 --- /dev/null +++ b/doc/fix_meso.html @@ -0,0 +1,49 @@ + +Syntax: +
+fix ID group-ID meso ++
Examples: +
+fix 1 all meso ++
Description: +
+Perform time integration to update position, velocity, internal energy +and local density for atoms in the group each timestep. This fix is needed to +time-integrate mesoscopic systems where particles carry internal variables such as SPH or DPDE. +
+Restart, fix_modify, output, run start/stop, minimize info: +
+No information about this fix is written to binary restart +files. None of the fix_modify options +are relevant to this fix. No global or per-atom quantities are stored +by this fix for access by various output +commands. No parameter of this fix can be +used with the start/stop keywords of the run command. +This fix is not invoked during energy minimization. +
+Restrictions: none +
+Related commands: +
+"fix meso/stationary" +
+Default: none +
+ diff --git a/doc/fix_meso.txt b/doc/fix_meso.txt new file mode 100644 index 0000000000..19a1abf963 --- /dev/null +++ b/doc/fix_meso.txt @@ -0,0 +1,44 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +fix meso command :h3 + +[Syntax:] + +fix ID group-ID meso :pre + +ID, group-ID are documented in "fix"_fix.html command +meso = style name of this fix command :ul + +[Examples:] + +fix 1 all meso :pre + +[Description:] + +Perform time integration to update position, velocity, internal energy +and local density for atoms in the group each timestep. This fix is needed to +time-integrate mesoscopic systems where particles carry internal variables such as SPH or DPDE. + +[Restart, fix_modify, output, run start/stop, minimize info:] + +No information about this fix is written to "binary restart +files"_restart.html. None of the "fix_modify"_fix_modify.html options +are relevant to this fix. No global or per-atom quantities are stored +by this fix for access by various "output +commands"_Section_howto.html#4_15. No parameter of this fix can be +used with the {start/stop} keywords of the "run"_run.html command. +This fix is not invoked during "energy minimization"_minimize.html. + +[Restrictions:] none + +[Related commands:] + +"fix meso/stationary" + +[Default:] none diff --git a/doc/fix_meso_stationary.html b/doc/fix_meso_stationary.html new file mode 100644 index 0000000000..f586fdbf67 --- /dev/null +++ b/doc/fix_meso_stationary.html @@ -0,0 +1,50 @@ + +Syntax: +
+fix ID group-ID meso/stationary ++
Examples: +
+fix 1 boundary meso/stationary ++
Description: +
+Perform time integration to update internal energy and local density, but not +position or velocity for atoms in the group each timestep. This fix is needed +for SPH simulations to correctly time-integrate fixed boundary particles which +constrain a fluid to a given region in space. +
+Restart, fix_modify, output, run start/stop, minimize info: +
+No information about this fix is written to binary restart +files. None of the fix_modify options +are relevant to this fix. No global or per-atom quantities are stored +by this fix for access by various output +commands. No parameter of this fix can be +used with the start/stop keywords of the run command. +This fix is not invoked during energy minimization. +
+Restrictions: none +
+Related commands: +
+"fix meso" +
+Default: none +
+ diff --git a/doc/fix_meso_stationary.txt b/doc/fix_meso_stationary.txt new file mode 100644 index 0000000000..be3152dc14 --- /dev/null +++ b/doc/fix_meso_stationary.txt @@ -0,0 +1,45 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +fix meso/stationary command :h3 + +[Syntax:] + +fix ID group-ID meso/stationary :pre + +ID, group-ID are documented in "fix"_fix.html command +meso = style name of this fix command :ul + +[Examples:] + +fix 1 boundary meso/stationary :pre + +[Description:] + +Perform time integration to update internal energy and local density, but not +position or velocity for atoms in the group each timestep. This fix is needed +for SPH simulations to correctly time-integrate fixed boundary particles which +constrain a fluid to a given region in space. + +[Restart, fix_modify, output, run start/stop, minimize info:] + +No information about this fix is written to "binary restart +files"_restart.html. None of the "fix_modify"_fix_modify.html options +are relevant to this fix. No global or per-atom quantities are stored +by this fix for access by various "output +commands"_Section_howto.html#4_15. No parameter of this fix can be +used with the {start/stop} keywords of the "run"_run.html command. +This fix is not invoked during "energy minimization"_minimize.html. + +[Restrictions:] none + +[Related commands:] + +"fix meso" + +[Default:] none diff --git a/doc/pair_sph_heatconduction.html b/doc/pair_sph_heatconduction.html new file mode 100644 index 0000000000..1c45874a89 --- /dev/null +++ b/doc/pair_sph_heatconduction.html @@ -0,0 +1,63 @@ + +Syntax: +
+pair_style sph/heatconduction ++
Examples: +
+pair_style sph/heatconduction +pair_coeff * * 1.0 2.4 +
+Description: +
+The sph/heatconduction style computes heat transport between SPH particles. +The transport model is the diffusion euqation for the internal energy. +
+The following coefficients must be defined for each pair of atoms +types via the pair_coeff command as in the examples +above. +
+D diffusion coefficient (length^2/time units) +h kernel function cutoff (distance units) +
+Mixing, shift, table, tail correction, restart, rRESPA info: +
+These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. +
+This style does not write information to binary restart +files, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. +
+These styles can only be used via the pair keyword of the run_style +respa command. They do not support the inner, +middle, outer keywords. +
+Restrictions: +
+The pair sph/heatconduction style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the Making LAMMPS section for +more info. +
+Related commands: +
+pair_coeff, pair_sph/rhosum +
+Default: none +
+ diff --git a/doc/pair_sph_heatconduction.txt b/doc/pair_sph_heatconduction.txt new file mode 100644 index 0000000000..3f2c2a93dd --- /dev/null +++ b/doc/pair_sph_heatconduction.txt @@ -0,0 +1,59 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +pair_style sph/heatconduction command :h3 + +[Syntax:] + +pair_style sph/heatconduction :pre + +[Examples:] + +pair_style sph/heatconduction +pair_coeff * * 1.0 2.4 + +[Description:] + +The sph/heatconduction style computes heat transport between SPH particles. +The transport model is the diffusion euqation for the internal energy. + +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. + +D diffusion coefficient (length^2/time units) +h kernel function cutoff (distance units) + +:line + +[Mixing, shift, table, tail correction, restart, rRESPA info]: + +These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. + +This style does not write information to "binary restart +files"_restart.html, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. + +These 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. + +[Restrictions:] + +The {pair sph/heatconduction} style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the "Making LAMMPS"_Section_start.html#2_3 section for +more info. + +[Related commands:] + +"pair_coeff"_pair_coeff.html, pair_sph/rhosum + +[Default:] none + diff --git a/doc/pair_sph_idealgas.html b/doc/pair_sph_idealgas.html new file mode 100644 index 0000000000..2c8b917b63 --- /dev/null +++ b/doc/pair_sph_idealgas.html @@ -0,0 +1,68 @@ + +Syntax: +
+pair_style sph/idealgas ++
Examples: +
+pair_style sph/idealgas +pair_coeff * * 1.0 2.4 +
+Description: +
+The sph/idealgas style computes pressure forces between particles according to the ideal gas equation of state, +\beginequation +p = (\gamma - 1) \rho e, +\endequation +where $\gamma=1.4$ is the heat capacity ratio, $\rho$ is the local density, and $e$ is the internal energy per unit mass. This pair style also computes Monaghan's artificial viscosity to prevent particles from interpentrating (Monaghan1983). +
+The following coefficients must be defined for each pair of atoms +types via the pair_coeff command as in the examples +above. +
+nu artificial viscosity (no units) +h kernel function cutoff (distance units) +
+Mixing, shift, table, tail correction, restart, rRESPA info: +
+These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. +
+This style does not write information to binary restart +files, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. +
+These styles can only be used via the pair keyword of the run_style +respa command. They do not support the inner, +middle, outer keywords. +
+Restrictions: +
+The pair sph/idealgas style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the Making LAMMPS section for +more info. +
+Related commands: +
+pair_coeff, pair_sph/rhosum +
+Default: none +
+(Monaghan1983) J. J. Monaghan and R. A. Gingold, “Shock simulation by the particle method SPH,” Journal of Computational Physics, vol. 52, no. 2, pp. 374-389, Nov. 1983. +
+ diff --git a/doc/pair_sph_idealgas.txt b/doc/pair_sph_idealgas.txt new file mode 100644 index 0000000000..309b8f8a1a --- /dev/null +++ b/doc/pair_sph_idealgas.txt @@ -0,0 +1,65 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +pair_style sph/idealgas command :h3 + +[Syntax:] + +pair_style sph/idealgas :pre + +[Examples:] + +pair_style sph/idealgas +pair_coeff * * 1.0 2.4 + +[Description:] + +The sph/idealgas style computes pressure forces between particles according to the ideal gas equation of state, +\begin{equation} +p = (\gamma - 1) \rho e, +\end{equation} +where $\gamma=1.4$ is the heat capacity ratio, $\rho$ is the local density, and $e$ is the internal energy per unit mass. This pair style also computes Monaghan's artificial viscosity to prevent particles from interpentrating (Monaghan1983). + + +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. + +nu artificial viscosity (no units) +h kernel function cutoff (distance units) + +:line + +[Mixing, shift, table, tail correction, restart, rRESPA info]: + +These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. + +This style does not write information to "binary restart +files"_restart.html, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. + +These 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. + +[Restrictions:] + +The {pair sph/idealgas} style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the "Making LAMMPS"_Section_start.html#2_3 section for +more info. + +[Related commands:] + +"pair_coeff"_pair_coeff.html, pair_sph/rhosum + +[Default:] none + +[(Monaghan1983)] J. J. Monaghan and R. A. Gingold, “Shock simulation by the particle method SPH,” Journal of Computational Physics, vol. 52, no. 2, pp. 374-389, Nov. 1983. + diff --git a/doc/pair_sph_lj.html b/doc/pair_sph_lj.html new file mode 100644 index 0000000000..836cdaefce --- /dev/null +++ b/doc/pair_sph_lj.html @@ -0,0 +1,72 @@ + +Syntax: +
+pair_style sph/lj ++
Examples: +
+pair_style sph/lj +pair_coeff * * 1.0 2.4 +
+Description: +
+The sph/lj style computes pressure forces between particles according to +the Lennard-Jones equation of state, which is computed according to +Ree's 1980 polynomial fit (Ree1980). The Lennard-Jones parameters +$\epsilon$ and $\sigma$ are set to unity. This pair style also computes +Monaghan's artificial viscosity to prevent particles from +interpentrating (Monaghan1983). +
+The following coefficients must be defined for each pair of atoms +types via the pair_coeff command as in the examples +above. +
+nu artificial viscosity (no units) +h kernel function cutoff (distance units) +
+Mixing, shift, table, tail correction, restart, rRESPA info: +
+These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. +
+This style does not write information to binary restart +files, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. +
+These styles can only be used via the pair keyword of the run_style +respa command. They do not support the inner, +middle, outer keywords. +
+Restrictions: +The Lennard-Jones parameters $\epsilon$ and $\sigma$ are set to unity. +The pair sph/lj style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the Making LAMMPS section for +more info. +
+Related commands: +
+pair_coeff, pair_sph/rhosum +
+Default: none +
+(Ree1980) F. H. Ree. Analytic representation of thermodynamic data for the Lennard-Jones fluid. +The Journal of Chemical Physics, 73(10):5401, 1980. +
+(Monaghan1983) J. J. Monaghan and R. A. Gingold, “Shock simulation by the particle method SPH,” Journal of Computational Physics, vol. 52, no. 2, pp. 374-389, Nov. 1983. +
+ diff --git a/doc/pair_sph_lj.txt b/doc/pair_sph_lj.txt new file mode 100644 index 0000000000..d5fde5843c --- /dev/null +++ b/doc/pair_sph_lj.txt @@ -0,0 +1,70 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +pair_style sph/lj command :h3 + +[Syntax:] + +pair_style sph/lj :pre + +[Examples:] + +pair_style sph/lj +pair_coeff * * 1.0 2.4 + +[Description:] + +The sph/lj style computes pressure forces between particles according to +the Lennard-Jones equation of state, which is computed according to +Ree's 1980 polynomial fit (Ree1980). The Lennard-Jones parameters +$\epsilon$ and $\sigma$ are set to unity. This pair style also computes +Monaghan's artificial viscosity to prevent particles from +interpentrating (Monaghan1983). + + +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. + +nu artificial viscosity (no units) +h kernel function cutoff (distance units) + +:line + +[Mixing, shift, table, tail correction, restart, rRESPA info]: + +These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. + +This style does not write information to "binary restart +files"_restart.html, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. + +These 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. + +[Restrictions:] +The Lennard-Jones parameters $\epsilon$ and $\sigma$ are set to unity. +The {pair sph/lj} style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the "Making LAMMPS"_Section_start.html#2_3 section for +more info. + +[Related commands:] + +"pair_coeff"_pair_coeff.html, pair_sph/rhosum + +[Default:] none + +[(Ree1980)] F. H. Ree. Analytic representation of thermodynamic data for the Lennard-Jones fluid. +The Journal of Chemical Physics, 73(10):5401, 1980. + +[(Monaghan1983)] J. J. Monaghan and R. A. Gingold, “Shock simulation by the particle method SPH,” Journal of Computational Physics, vol. 52, no. 2, pp. 374-389, Nov. 1983. + + diff --git a/doc/pair_sph_rhosum.html b/doc/pair_sph_rhosum.html new file mode 100644 index 0000000000..1a46024aab --- /dev/null +++ b/doc/pair_sph_rhosum.html @@ -0,0 +1,64 @@ + +Syntax: +
+pair_style sph/rhosum nstep ++
nstep = timestep interval +
+Examples: +
+pair_style sph/rhosum 10 +pair_coeff * * 2.4 +
+Description: +
+The sph/rhosum style computes the local particle mass density rho by kernel function interpolation, +see the SPH-USER documentation. +
+The following coefficients must be defined for each pair of atoms +types via the pair_coeff command as in the examples +above. +
+h (distance units) +
+Mixing, shift, table, tail correction, restart, rRESPA info: +
+These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. +
+This style does not write information to binary restart +files, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. +
+These styles can only be used via the pair keyword of the run_style +respa command. They do not support the inner, +middle, outer keywords. +
+Restrictions: +
+The pair sph/rhosum style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the Making LAMMPS section for +more info. +
+Related commands: +
+pair_coeff, pair_sph/taitwater +
+Default: none +
+ diff --git a/doc/pair_sph_rhosum.txt b/doc/pair_sph_rhosum.txt new file mode 100644 index 0000000000..8824f89925 --- /dev/null +++ b/doc/pair_sph_rhosum.txt @@ -0,0 +1,59 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +pair_style sph/rhosum command :h3 + +[Syntax:] + +pair_style sph/rhosum nstep :pre + +nstep = timestep interval + +[Examples:] + +pair_style sph/rhosum 10 +pair_coeff * * 2.4 + +[Description:] + +The sph/rhosum style computes the local particle mass density rho by kernel function interpolation, +see the SPH-USER documentation. + +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. + +h (distance units) + +:line + +[Mixing, shift, table, tail correction, restart, rRESPA info]: + +These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. + +This style does not write information to "binary restart +files"_restart.html, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. + +These 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. + +[Restrictions:] + +The {pair sph/rhosum} style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the "Making LAMMPS"_Section_start.html#2_3 section for +more info. + +[Related commands:] + +"pair_coeff"_pair_coeff.html, pair_sph/taitwater + +[Default:] none diff --git a/doc/pair_sph_taitwater.html b/doc/pair_sph_taitwater.html new file mode 100644 index 0000000000..d2bc4c54a4 --- /dev/null +++ b/doc/pair_sph_taitwater.html @@ -0,0 +1,72 @@ + +Syntax: +
+pair_style sph/taitwater ++
Examples: +
+pair_style sph/taitwater +pair_coeff * * 1000.0 1430.0 1.0 2.4 +
+Description: +
+The sph/taitwater style computes pressure forces between particles according to Tait's equation of state, +\beginequation +p = B (\frac\rho\rho_0)^\gamma - 1, +\endequation +where $\gamma=7$ and $B=c_0^2 \rho_0 / \gamma$, with $\rho_0$ being the reference density and $c_0$ the reference speed of sound. +This pair style also computes Monaghan's artificial viscosity to prevent particles from interpentrating (Monaghan1983). +
+The following coefficients must be defined for each pair of atoms +types via the pair_coeff command as in the examples +above. +
+rho0 reference density (mass/volume units) +c0 reference soundspeed (distance/time units) +nu artificial viscosity (no units) +h kernel function cutoff (distance units) +
+Mixing, shift, table, tail correction, restart, rRESPA info: +
+These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. Additionally, because rho0 and c0 are defined on a per-type basis, +an I,I as well a J,J coefficients line must be specified prior to specifying an I,J interaction. +
+This style does not write information to binary restart +files, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. +
+These styles can only be used via the pair keyword of the run_style +respa command. They do not support the inner, +middle, outer keywords. +
+Restrictions: +
+The pair sph/taitwater style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the Making LAMMPS section for +more info. +
+Related commands: +
+pair_coeff, pair_sph/rhosum +
+Default: none +
+(Monaghan1983) J. J. Monaghan and R. A. Gingold, “Shock simulation by the particle method SPH,” Journal of Computational Physics, vol. 52, no. 2, pp. 374-389, Nov. 1983. +
+ diff --git a/doc/pair_sph_taitwater.txt b/doc/pair_sph_taitwater.txt new file mode 100644 index 0000000000..b064bb77ff --- /dev/null +++ b/doc/pair_sph_taitwater.txt @@ -0,0 +1,69 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +pair_style sph/taitwater command :h3 + +[Syntax:] + +pair_style sph/taitwater :pre + +[Examples:] + +pair_style sph/taitwater +pair_coeff * * 1000.0 1430.0 1.0 2.4 + +[Description:] + +The sph/taitwater style computes pressure forces between particles according to Tait's equation of state, +\begin{equation} +p = B [(\frac{\rho}{\rho_0})^{\gamma} - 1], +\end{equation} +where $\gamma=7$ and $B=c_0^2 \rho_0 / \gamma$, with $\rho_0$ being the reference density and $c_0$ the reference speed of sound. +This pair style also computes Monaghan's artificial viscosity to prevent particles from interpentrating (Monaghan1983). + + +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. + +rho0 reference density (mass/volume units) +c0 reference soundspeed (distance/time units) +nu artificial viscosity (no units) +h kernel function cutoff (distance units) + +:line + +[Mixing, shift, table, tail correction, restart, rRESPA info]: + +These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. Additionally, because rho0 and c0 are defined on a per-type basis, +an I,I as well a J,J coefficients line must be specified prior to specifying an I,J interaction. + +This style does not write information to "binary restart +files"_restart.html, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. + +These 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. + +[Restrictions:] + +The {pair sph/taitwater} style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the "Making LAMMPS"_Section_start.html#2_3 section for +more info. + +[Related commands:] + +"pair_coeff"_pair_coeff.html, pair_sph/rhosum + +[Default:] none + +[(Monaghan1983)] J. J. Monaghan and R. A. Gingold, “Shock simulation by the particle method SPH,” Journal of Computational Physics, vol. 52, no. 2, pp. 374-389, Nov. 1983. + diff --git a/doc/pair_sph_taitwater_morris.html b/doc/pair_sph_taitwater_morris.html new file mode 100644 index 0000000000..9eabe44b42 --- /dev/null +++ b/doc/pair_sph_taitwater_morris.html @@ -0,0 +1,72 @@ + +Syntax: +
+pair_style sph/taitwater/morris ++
Examples: +
+pair_style sph/taitwater/morris +pair_coeff * * 1000.0 1430.0 1.0 2.4 +
+Description: +
+The sph/taitwater/morris style computes pressure forces between particles according to Tait's equation of state, +\beginequation +p = B (\frac\rho\rho_0)^\gamma - 1, +\endequation +where $\gamma=7$ and $B=c_0^2 \rho_0 / \gamma$, with $\rho_0$ being the reference density and $c_0$ the reference speed of sound. +This pair style also computes laminar viscosity (Morris1997). +
+The following coefficients must be defined for each pair of atoms +types via the pair_coeff command as in the examples +above. +
+rho0 reference density (mass/volume units) +c0 reference soundspeed (distance/time units) +nu dynamic viscosity (mass*distance/time units) +h kernel function cutoff (distance units) +
+Mixing, shift, table, tail correction, restart, rRESPA info: +
+These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. Additionally, because rho0 and c0 are defined on a per-type basis, +an I,I as well a J,J coefficients line must be specified prior to specifying an I,J interaction. +
+This style does not write information to binary restart +files, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. +
+These styles can only be used via the pair keyword of the run_style +respa command. They do not support the inner, +middle, outer keywords. +
+Restrictions: +
+The pair sph/taitwater/morris style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the Making LAMMPS section for +more info. +
+Related commands: +
+pair_coeff, pair_sph/rhosum +
+Default: none +
+(Morris1997) J.P. Morris, P.J. Fox, and Y. Zhu. Modeling Low Reynolds Number Incompressible Flows Using SPH. Journal of Computational Physics, 136:214–226, 1997. +
+ diff --git a/doc/pair_sph_taitwater_morris.txt b/doc/pair_sph_taitwater_morris.txt new file mode 100644 index 0000000000..df07fd9650 --- /dev/null +++ b/doc/pair_sph_taitwater_morris.txt @@ -0,0 +1,70 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +pair_style sph/taitwater/morris command :h3 + +[Syntax:] + +pair_style sph/taitwater/morris :pre + +[Examples:] + +pair_style sph/taitwater/morris +pair_coeff * * 1000.0 1430.0 1.0 2.4 + +[Description:] + +The sph/taitwater/morris style computes pressure forces between particles according to Tait's equation of state, +\begin{equation} +p = B [(\frac{\rho}{\rho_0})^{\gamma} - 1], +\end{equation} +where $\gamma=7$ and $B=c_0^2 \rho_0 / \gamma$, with $\rho_0$ being the reference density and $c_0$ the reference speed of sound. +This pair style also computes laminar viscosity (Morris1997). + + +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. + +rho0 reference density (mass/volume units) +c0 reference soundspeed (distance/time units) +nu dynamic viscosity (mass*distance/time units) +h kernel function cutoff (distance units) + +:line + +[Mixing, shift, table, tail correction, restart, rRESPA info]: + +These pair styles do not support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly. Additionally, because rho0 and c0 are defined on a per-type basis, +an I,I as well a J,J coefficients line must be specified prior to specifying an I,J interaction. + +This style does not write information to "binary restart +files"_restart.html, so pair_style and pair_coeff commands do need +to be specified in an input script that reads a restart file. + +These 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. + +[Restrictions:] + +The {pair sph/taitwater/morris} style is part of the "USER-SPH" package. It is +only enabled if LAMMPS was built with that package (which it is by +default). See the "Making LAMMPS"_Section_start.html#2_3 section for +more info. + +[Related commands:] + +"pair_coeff"_pair_coeff.html, pair_sph/rhosum + +[Default:] none + +[(Morris1997)] J.P. Morris, P.J. Fox, and Y. Zhu. Modeling Low Reynolds Number Incompressible Flows Using SPH. Journal of Computational Physics, 136:214–226, 1997. + +