calculate minimum command

Purpose

This command calculates the minimum of one or more per-particle style variables in the entire simulation domain / for a group of particles or the minimum of one or more mesh properties for one or meshes (examples).

Note

This command is supported by Aspherix GPU.

Syntax

calculate minimum keyword/value pairs

The calculate minimum command can be applied for finding minimum particle or mesh properties.

Keywords for calculating the minimum of particle properties:

Keywords

Description

quantity*

variable or command that computes a per-particle value

quantities*

brace-enclosed list of variables or commands that compute per-particle values

region

region in which the minimum is evaluated

particle_group

particle group for which the minimum is evaluated

* The keywords quantity and quantities are mutually exclusive.

Keywords for calculating the minimum mesh properties:

Keywords

Description

meshes

brace-enclosed list of mesh ids or all for all meshes
available options: {mesh1,mesh2,etc} or all

mesh_properties

brace-enclosed list of mesh properties

property_weights

brace-enclosed list of weights for each mesh property
available options: area or volume
default: none

General keywords:

Keywords

Description

id

user-assigned name for the calculate minimum command

final_update

Recomputes at the last step of a simulate command.
available options: yes or no
default: yes

Examples

calculate minimum id minfx quantity fx
calculate minimum id minMyVar quantity v_myVar
calculate minimum id minfx quantity fx particle_group g1 region r1
calculate minimum id min_tags quantities {id_tag1, id_tag2}
calculate minimum id mesh_min meshes {plate,cad} mesh_properties {Temp,liquidContent} property_scaling {area,volume}

Access the calculated values above via:

id_minfx
id_minMyVar
id_min_tags[1]
id_min_tags[2]
id_mesh_min[1] or id_mesh_min.Temp
id_mesh_min[2] or id_mesh_min.liquidContent

Description

This command determines the minimum of a per-particle style variable, a command that computes per-particle data, or a mesh property of a surface mesh.

Note that the command can determine the minimum for particle or mesh properties exclusively.

Getting the minimum of particle properties

For particle variables/data, the minimum can be calculated for:

  • the entire simulation domain, or

  • in a region defined by the region keyword, or

  • in a group of particles defined by the particle_group keyword.

The quantity keyword allows to determine the minimum of a single per-particle variable or command. The name of the variable/command must come after the keyword.

If you want to get the minimum of more than one variable/command, the quantities keyword can be used. The variables/commands must come after the keyword within curly braces.

Global per-particle variables that are provided by Aspherix (e.g., positions x, y, z, forces fx, fy, fz, velocities vx, vy, vz, …) can be used directly, user-defined variables must be accessed with ‘v_VARNAME’, where VARNAME is the user-defined name of the variable.

Example for calculating the minimum of internal & user-defined variables

calculate minimum id minZforce quantity fz

variable myVar atom fx*fx
calculate minimum id minSqXforce quantity v_myVar

Alternatively, if you have a command that computes a per-particle scalar or vector, you can also use this. To do so prepend the commands id with id_, e.g. id_myCommandId. If the command computes a per-particle vector, you must specify the component, e.g. id_myVectorCommandId[1].

Getting the minimum of mesh properties

Getting the minimum of mesh properties can be done for the meshes defined with the meshes keyword. The keyword accepts two formats for the value:

  • A list of mesh names enclosed in braces: {mesh1, mesh2}

  • The value all, which makes the command apply to all meshes in the domain.

The keyword mesh_properties defines the properties for which the minimum is to be obtained. This applies to all meshes defined in the meshes keyword. The mesh_properties keyword takes a list of properties enclosed by braces.

The properties can be weighted by using the property_weights keyword. The weighting is done by multiplying the properties in each mesh element by an element characteristic value. These values are:

  • none: no scaling factor is applied

  • area: the mesh element property is multiplied by the area of the element

  • volume: the mesh element property multiplied by the volume of the element

The mesh element volume is defined as the mesh element area times the mesh element thickness (wall thickness). The mesh thickness can be defined via the mesh_module heattransfer or mesh_module liquidtransfer commands. A thickness of 1 will be used if it was not set explicitly.

The final_update keyword will force a recomputation of the value at the last integration step of a simulate command. This is useful if the value is required in the input script between two simulate commands, e.g. for setting a variable.

Output information

The calculate minimum command produces a global scalar (when using quantity) or vector (when using quantities or meshes). When using the output_settings command, the results are automatically written to the simulation_data_aspherix.csv / result_monitor.txt file (names same as in access information below).

The minimum property for a command with id CMDID can be accessed by id_CMDID, the components of the vector for properties and meshes by id_CMDID[1], id_CMDID[2], etc. For meshes also dot-access via the property name is possible (e.g., id_CMDID.wear, id_CMDID.area, etc).

With the write_to_file command the information can be written to a separate file, with the status_style command additional quantities can be added to the standard output produced by the output_settings command.

Example for saving calculated minima to a separate text file

calculate minimum id min1 quantity fx
calculate minimum id min2 quantities {fy,fz}
calculate minimum id min3 meshes {mes1} mesh_properties {Temp,wear}
write_to_file file calculate_min_output.txt string "id_min1 id_min2[1] id_min2[2] id_min3[1] id_min3[2]"