LAMMPSFileRunner

LAMMPSFileRunner reads in LAMMPS dumps file and maps them on an FEM mesh. The time_sequence parameter determines if a sequence of LAMMPS files is read or a single file is loaded and used throughout. If a sequence of files is used, the lammps_file parameter should contain the file base, e.g. path/to/file/filebase if the files are called path/to/file/filebase.<time>.xyz.

Time conversion from FEM time to LAMMPS time is facilitated by the time_conversion parameter that accepts a MOOSE function object. Denoting FEM time by t and LAMMPS time by T, time_conversion is a function T = F(t).

Allows coupling FEM calculations to LAMMPS dump files.

Input Parameters

  • lammps_fileName of LAMMPS dump file or file base of LAMMPS file for a sequence.

    C++ Type:FileName

    Controllable:No

    Description:Name of LAMMPS dump file or file base of LAMMPS file for a sequence.

  • xyz_columnsColumn ids of the x, y, and z coordinates of particles.

    C++ Type:std::vector<unsigned int>

    Controllable:No

    Description:Column ids of the x, y, and z coordinates of particles.

Required Parameters

  • max_granular_radius0Maximum radius of granular particles. This can be important for partitioning.

    Default:0

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Maximum radius of granular particles. This can be important for partitioning.

  • md_particle_propertiesProperties of MD particles to be obtained and stored.

    C++ Type:MultiMooseEnum

    Options:vel_x, vel_y, vel_z, force_x, force_y, force_z, charge, radius

    Controllable:No

    Description:Properties of MD particles to be obtained and stored.

  • property_columnsColumn ids of the properties.

    C++ Type:std::vector<unsigned int>

    Controllable:No

    Description:Column ids of the properties.

  • time_conversionA conversion from FEM simulation time to MD time stamps.

    C++ Type:FunctionName

    Unit:(no unit assumed)

    Controllable:No

    Description:A conversion from FEM simulation time to MD time stamps.

  • time_sequenceFalseIf true, a sequence of dump files is read, else a single dump file is read.

    Default:False

    C++ Type:bool

    Controllable:No

    Description:If true, a sequence of dump files is read, else a single dump file is read.

Optional Parameters

  • allow_duplicate_execution_on_initialFalseIn the case where this UserObject is depended upon by an initial condition, allow it to be executed twice during the initial setup (once before the IC and again after mesh adaptivity (if applicable).

    Default:False

    C++ Type:bool

    Controllable:No

    Description:In the case where this UserObject is depended upon by an initial condition, allow it to be executed twice during the initial setup (once before the IC and again after mesh adaptivity (if applicable).

  • execution_order_group0Execution order groups are executed in increasing order (e.g., the lowest number is executed first). Note that negative group numbers may be used to execute groups before the default (0) group. Please refer to the user object documentation for ordering of user object execution within a group.

    Default:0

    C++ Type:int

    Controllable:No

    Description:Execution order groups are executed in increasing order (e.g., the lowest number is executed first). Note that negative group numbers may be used to execute groups before the default (0) group. Please refer to the user object documentation for ordering of user object execution within a group.

  • force_postauxFalseForces the UserObject to be executed in POSTAUX

    Default:False

    C++ Type:bool

    Controllable:No

    Description:Forces the UserObject to be executed in POSTAUX

  • force_preauxFalseForces the UserObject to be executed in PREAUX

    Default:False

    C++ Type:bool

    Controllable:No

    Description:Forces the UserObject to be executed in PREAUX

  • force_preicFalseForces the UserObject to be executed in PREIC during initial setup

    Default:False

    C++ Type:bool

    Controllable:No

    Description:Forces the UserObject to be executed in PREIC during initial setup

Execution Scheduling Parameters

  • control_tagsAdds user-defined labels for accessing object parameters via control logic.

    C++ Type:std::vector<std::string>

    Controllable:No

    Description:Adds user-defined labels for accessing object parameters via control logic.

  • enableTrueSet the enabled status of the MooseObject.

    Default:True

    C++ Type:bool

    Controllable:Yes

    Description:Set the enabled status of the MooseObject.

  • use_displaced_meshFalseWhether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.

    Default:False

    C++ Type:bool

    Controllable:No

    Description:Whether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.

Advanced Parameters

  • prop_getter_suffixAn optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.

    C++ Type:MaterialPropertyName

    Unit:(no unit assumed)

    Controllable:No

    Description:An optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.

  • use_interpolated_stateFalseFor the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.

    Default:False

    C++ Type:bool

    Controllable:No

    Description:For the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.

Material Property Retrieval Parameters

Input Files

References

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