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siesta_run::siesta_run_class Interface Reference

Interface for the siesta_run constructor. More...

Public Member Functions

procedure set_vmec_ siesta_run_set_vmec
 
procedure set_vmec_temp siesta_run_set_vmec_temp
 
GENERIC set_vmec set_vmec_, set_vmec_temp
 
procedure set_restart siesta_run_set_restart
 
procedure set_1d siesta_run_set_1d
 
GENERIC set set_1d
 
procedure converge (this)
 Solves the SIESTA equilibrium.
 
procedure sync (this)
 Sync child equilibria.
 
FINAL siesta_run_destruct (this)
 Deconstruct a siesta_run_class object.
 
class(siesta_run_class) function, pointer siesta_run_construct (run_comm, verbose, init_mpi, close_w
 Construct new siesta_run_class object.
 

Public Attributes

real(dp) time_on
 Timer On.
 
integer control_state
 Control state.
 

Detailed Description

Interface for the siesta_run constructor.

Member Function/Subroutine Documentation

◆ converge()

procedure siesta_run::siesta_run_class::converge ( class (siesta_run_class), intent(inout)  this)

Solves the SIESTA equilibrium.

This method converges the siesta_run_class equilibrium. Initializes the evolution module variables and converges the force residual using a diagonal preconditioner. Applies the external island perturbation if possible. Loads restart file before convergence.

Parameters
[in,out]thisA siesta_run_class instance.

◆ siesta_run_construct()

class (siesta_run_class) function, pointer siesta_run::siesta_run_class::siesta_run_construct ( integer, intent(in)  run_comm,
logical, intent(in)  verbose,
logical, intent(in)  init_mpi,
  close_w 
)

Construct new siesta_run_class object.

Allocates memory and initializes a siesta_run_class object. Performs all the initialization needed to operate SIESTA.

Parameters
[in]run_commMPI Communicator to use.
[in]verboseControl the code screen output.
[in]init_mpiInstructs if MPI should be initialized.
[in]close_woutInstructs if wout file should be closed on deallocate.
[in]namelist_filePath to the siesta namelist input file.
Returns
A pointer to a constructed siesta_run_class object.

◆ siesta_run_destruct()

FINAL siesta_run::siesta_run_class::siesta_run_destruct ( type (siesta_run_class), intent(inout)  this)
final

Deconstruct a siesta_run_class object.

Deallocates memory and uninitializes a siesta_run_class object. This also performs the shut down procedures for SIESTA.

Parameters
[in,out]thisA siesta_run_class instance.

◆ sync()

procedure siesta_run::siesta_run_class::sync ( class (siesta_run_class), intent(inout)  this)

Sync child equilibria.

Parameters
[in,out]thisA siesta_run_class instance.

The documentation for this interface was generated from the following file: