Interface for the siesta_run constructor.
More...
|
|
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 | set_control_state (this, state) |
| | Set a control state.
|
| |
| procedure | is_state_set (this, state) |
| | Query if state is set.
|
| |
| procedure | clear_state (this, state) |
| | Clear state bit.
|
| |
| procedure | get_1d (this, param_name, index) |
| | Get 1D parameter value.
|
| |
|
GENERIC | get get_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.
|
| |
|
|
real(dp) | time_on |
| | Timer On.
|
| |
|
integer | control_state |
| | Control state.
|
| |
Interface for the siesta_run constructor.
◆ clear_state()
| procedure siesta_run::siesta_run_class::clear_state |
( |
class (siesta_run_class), intent(inout) |
this, |
|
|
integer, intent(in) |
state |
|
) |
| |
Clear state bit.
- Parameters
-
◆ 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
-
◆ get_1d()
| procedure siesta_run::siesta_run_class::get_1d |
( |
class (siesta_run_class), intent(in) |
this, |
|
|
character (len=*), intent(in) |
param_name, |
|
|
integer, intent(in) |
index |
|
) |
| |
Get 1D parameter value.
- Parameters
-
| [in,out] | this | siesta_run_class instance. |
| [in] | param_name | Name of the parameter to set. |
| [in] | index | Array index of to set the value to. |
- Returns
- Value of the parameter at the index.
◆ is_state_set()
| procedure siesta_run::siesta_run_class::is_state_set |
( |
class (siesta_run_class), intent(in) |
this, |
|
|
integer, intent(in) |
state |
|
) |
| |
Query if state is set.
- Parameters
-
- Returns
- True if the state is set.
◆ set_control_state()
| procedure siesta_run::siesta_run_class::set_control_state |
( |
class (siesta_run_class), intent(inout) |
this, |
|
|
integer, intent(in) |
state |
|
) |
| |
Set a control state.
- Parameters
-
◆ 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_comm | MPI Communicator to use. |
| [in] | verbose | Control the code screen output. |
| [in] | init_mpi | Instructs if MPI should be initialized. |
| [in] | close_wout | Instructs if wout file should be closed on deallocate. |
| [in] | namelist_file | Path 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
-
◆ sync()
| procedure siesta_run::siesta_run_class::sync |
( |
class (siesta_run_class), intent(inout) |
this | ) |
|
Sync child equilibria.
- Parameters
-
The documentation for this interface was generated from the following file: