Contains module siesta_run. More...

Data Types
interface	siesta_run::siesta_run_class
	Interface for the siesta_run constructor. More...

Modules
module	siesta_run
	Defines the base class of the type siesta_run_class. This module contains all the code necessary to interface setup and run SIESTA.

Functions/Subroutines
class(siesta_run_class) function, pointer	siesta_run::siesta_run_construct (run_comm, verbose, init_mpi, close_w
	Construct new siesta_run_class object.

subroutine	siesta_run::siesta_run_destruct (this)
	Deconstruct a siesta_run_class object.

subroutine	siesta_run::siesta_run_set_control_state (this, state)
	Set a control state.

real(dp) function	siesta_run::siesta_run_get_1d (this, param_name, index)
	Get 1D parameter value.

logical function	siesta_run::siesta_run_is_state_set (this, state)
	Query if state is set.

subroutine	siesta_run::siesta_run_clear_state (this, state)
	Clear state bit.

subroutine	siesta_run::siesta_run_converge (this)
	Solves the SIESTA equilibrium.

subroutine	siesta_run::siesta_run_sync (this)
	Sync child equilibria.

Variables
integer, parameter	siesta_run::siesta_run_control_clear = 0
	Clear all control bits.

integer, parameter	siesta_run::siesta_run_control_mpi = 1
	Bit position to initalize mpi.

integer, parameter	siesta_run::siesta_run_control_wout = 2
	Bit position to close the wout file.

integer, parameter	siesta_run::siesta_run_sync_namelist = 3
	Bit position to sync the namelist inputs.

integer, parameter	siesta_run::siesta_run_write_profiles = 4
	Bit position to write diagnostics outputs.

Detailed Description

Contains module siesta_run.

Data Types