EVALUATED PARAMETER REFERENCE

flow couette.

Browse the evaluated DIPL parameters for this pinned LAMMPS example. Values come from the bundled setup; a run using overrides can differ.

21 model parameters4 top-level groupsSource 8de817dd79bfExplore 3D graph ↗Browse schemas ↗Try an override ↗

What this reference shows

Each entry gives the effective value, type, description, and relevant constraints. Open “Schema & provenance” for additional metadata and links to DIPL source files at the recorded lines.

PARAMETER GROUP

Drive

1 parameters

drive.upper_wall_speed

upper wall speed

EFFECTIVE VALUE3

Tangential velocity assigned to the upper wall atoms.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: couette_drive
Supplied by schema: couette_drive

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:256
Declaration: upper_wall_speed float = 3
Modified at: settings.dip:29
Modification: upper_wall_speed = 3.0

PARAMETER GROUP

Dynamics

7 parameters

dynamics.initial_temperature

initial temperature

EFFECTIVE VALUE1

Initial temperature for mobile flow atoms.

Try changing this parameter ↗

Type float64

Validation {.} >= 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_thermostat
Supplied by schema: flow_thermostat
Validation condition: {.} >= 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:217
Declaration: initial_temperature float = 1
Modified at: settings.dip:20
Modification: initial_temperature = 1.0

dynamics.rescale_every

rescale every

EFFECTIVE VALUE200

Temperature-rescale interval in timesteps.

Try changing this parameter ↗

Type int64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_thermostat
Supplied by schema: flow_thermostat
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:227
Declaration: rescale_every int = 200
Modified at: settings.dip:22
Modification: rescale_every = 200

dynamics.rescale_window

rescale window

EFFECTIVE VALUE0.02

Temperature-rescale window in reduced temperature units.

Try changing this parameter ↗

Type float64

Validation {.} >= 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_thermostat
Supplied by schema: flow_thermostat
Validation condition: {.} >= 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:232
Declaration: rescale_window float = 0.02
Modified at: settings.dip:23
Modification: rescale_window = 0.02

dynamics.run_steps

run steps

EFFECTIVE VALUE10000

Number of timesteps for the driven-flow run.

Try changing this parameter ↗

Type int64

Validation {.} >= 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_thermostat
Supplied by schema: flow_thermostat
Validation condition: {.} >= 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:247
Declaration: run_steps int = 10000
Modified at: settings.dip:26
Modification: run_steps = 10000

dynamics.thermo_interval

thermo interval

EFFECTIVE VALUE500

Thermodynamic output interval.

Try changing this parameter ↗

Type int64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_thermostat
Supplied by schema: flow_thermostat
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:242
Declaration: thermo_interval int = 500
Modified at: settings.dip:25
Modification: thermo_interval = 500

dynamics.timestep

timestep

EFFECTIVE VALUE3e-3

Integration timestep in reduced LJ units.

Try changing this parameter ↗

Type float64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_thermostat
Supplied by schema: flow_thermostat
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:237
Declaration: timestep float = 0.003
Modified at: settings.dip:24
Modification: timestep = 0.003

dynamics.velocity_seed

velocity seed

EFFECTIVE VALUE482748

Seed for the initial mobile-atom velocity distribution.

Try changing this parameter ↗

Type int64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_thermostat
Supplied by schema: flow_thermostat
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:222
Declaration: velocity_seed int = 482748
Modified at: settings.dip:21
Modification: velocity_seed = 482748

PARAMETER GROUP

Geometry

10 parameters

geometry.atom_mass

atom mass

EFFECTIVE VALUE1

Mass assigned to each of the three atom types in reduced LJ units.

Try changing this parameter ↗

Type float64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:189
Declaration: atom_mass float = 1
Modified at: settings.dip:12
Modification: atom_mass = 1.0

geometry.lattice_density

lattice density

EFFECTIVE VALUE0.7

Hexagonal lattice density used to create the channel atoms.

Try changing this parameter ↗

Type float64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:152
Declaration: lattice_density float = 0.7
Modified at: settings.dip:3
Modification: lattice_density = 0.7

geometry.lower_wall_top

lower wall top

EFFECTIVE VALUE1.25

Upper y boundary of the lower fixed wall group.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:181
Declaration: lower_wall_top float = 1.25
Modified at: settings.dip:10
Modification: lower_wall_top = 1.25

geometry.upper_wall_bottom

upper wall bottom

EFFECTIVE VALUE8.75

Lower y boundary of the upper fixed wall group.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:185
Declaration: upper_wall_bottom float = 8.75
Modified at: settings.dip:11
Modification: upper_wall_bottom = 8.75

geometry.xhi

xhi

EFFECTIVE VALUE20

Upper x bound of the 2D channel.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:161
Declaration: xhi float = 20
Modified at: settings.dip:5
Modification: xhi = 20

geometry.xlo

xlo

EFFECTIVE VALUE0

Lower x bound of the 2D channel.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:157
Declaration: xlo float = 0
Modified at: settings.dip:4
Modification: xlo = 0

geometry.yhi

yhi

EFFECTIVE VALUE10

Upper y bound of the channel.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:169
Declaration: yhi float = 10
Modified at: settings.dip:7
Modification: yhi = 10

geometry.ylo

ylo

EFFECTIVE VALUE0

Lower y bound of the channel.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:165
Declaration: ylo float = 0
Modified at: settings.dip:6
Modification: ylo = 0

geometry.zhi

zhi

EFFECTIVE VALUE0.25

Upper z bound of the thin 2D simulation box.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:177
Declaration: zhi float = 0.25
Modified at: settings.dip:9
Modification: zhi = 0.25

geometry.zlo

zlo

EFFECTIVE VALUE-0.25

Lower z bound of the thin 2D simulation box.

Try changing this parameter ↗

Type float64

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_geometry
Supplied by schema: flow_geometry

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:173
Declaration: zlo float = -0.25
Modified at: settings.dip:8
Modification: zlo = -0.25

PARAMETER GROUP

Interactions

3 parameters

interactions.cutoff

cutoff

EFFECTIVE VALUE1.122

Lennard-Jones cutoff used for pair_style and pair_coeff.

Try changing this parameter ↗

Type float64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_interactions
Supplied by schema: flow_interactions
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:198
Declaration: cutoff float = 1.12246
Modified at: settings.dip:15
Modification: cutoff = 1.12246

interactions.neighbor_delay

neighbor delay

EFFECTIVE VALUE5

Minimum delay before checking for a neighbor-list rebuild.

Try changing this parameter ↗

Type int64

Validation {.} >= 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_interactions
Supplied by schema: flow_interactions
Validation condition: {.} >= 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:208
Declaration: neighbor_delay int = 5
Modified at: settings.dip:17
Modification: neighbor_delay = 5

interactions.neighbor_skin

neighbor skin

EFFECTIVE VALUE0.3

Neighbor-list skin distance.

Try changing this parameter ↗

Type float64

Validation {.} > 0

Schema & provenance

Model metadata

Tags: lammps:param
Applied schemas: flow_interactions
Supplied by schema: flow_interactions
Validation condition: {.} > 0

Source history

Declared at: projects/lammps/dipl/examples/flow_couette/../../profiles/schemas/lj.dip:203
Declaration: neighbor_skin float = 0.3
Modified at: settings.dip:16
Modification: neighbor_skin = 0.3

Generated from SNT's Brief++ JSON document for projects/lammps/dipl/examples/flow_couette/DIPfile. Version: 0.9.3. The parameter values describe this bundled example; inspect a run's environment.diph5 to see overridden values.