# fix_modify AtC control thermal command ## Syntax fix_modify control fix_modify control thermal fix_modify control thermal rescale fix_modify control thermal flux fix_modify control thermal correction_max_iterations - AtC fixID = ID of [fix atc](fix_atc) instance - control = name of the AtC sub-command - physics_type = *thermal* or *momentum* - solution_parameter = *max_iterations* or *tolerance* - value = solution_parameter value - thermal control_type = *none* or *rescale* or *hoover* or *flux* - frequency = time step frequency for applying velocity rescaling - boundary_integration_type = *faceset* or *interpolate* (optional) - faceset_id = id of boundary face set (optional, only for *faceset*) - correction_max_iterations = maximum number of iterations that will be used by iterative matrix solvers for *thermal* physics type ## Examples ``` LAMMPS fix_modify AtC control thermal none fix_modify AtC control thermal rescale 10 fix_modify AtC control thermal hoover fix_modify AtC control thermal flux fix_modify AtC control thermal flux faceset bndy_faces fix_modify AtC control thermal correction_max_iterations 10 ``` ## Description The general version of *control* sets the numerical parameters for the matrix solvers used in the specified control algorithm. Many solution approaches require iterative solvers, and these methods enable users to provide the maximum number of iterations and the relative tolerance. The *control thermal* version sets the energy exchange mechanism from the finite elements to the atoms, managed through a control algorithm. *rescale* computes a scale factor for each atom to match the finite element temperature. *hoover* is a Gaussian least-constraint isokinetic thermostat enforces that the nodal restricted atomic temperature matches the finite element temperature. *flux* is a similar mode, but rather adds energy to the atoms based on conservation of energy. *hoover* and *flux* allow the prescription of sources or fixed temperatures on the atoms. *correction_max_iterations* sets the maximum number of iterations to compute the second order in time correction term for lambda with the fractional step method. The method uses the same tolerance as the controller\'s matrix solver. ## Restrictions Only for be used with the specific controllers *thermal* or *momentum*. They are ignored if a lumped solution is requested. *control thermal* is only for be used with specific transfers: thermal (*rescale*, *hoover*, *flux*), *two_temperature* (*flux*). *rescale* not valid with time filtering activated *correction_max_iterations* is only for use with *thermal* physics using the fractional step method. ## Related AtC commands - [fix_modify AtC command overview](atc_fix_modify) - [fix_modify AtC control momentum](atc_control_momentum) ## Default - *max_iterations* is the number of rows in the matrix. - *tolerance* is 1.0e-10. - *rescale* frequency is 1 - *flux* boundary_integration_type is *interpolate* - *correction_max_iterations* is 20