siesta_context Module Reference

Defines the base class of the type siesta_context_class. This contains the state variables needed by SIESTA. More...

Data Types
type	siesta_context_class
	Base class representing a siesta_context. This contains a copy of every variable that is needed to define the SIESTA state. More...

Functions/Subroutines
type(siesta_context_class) function, pointer	siesta_context_construct (restart_file_name)
	Construct a siesta_context_class object. More...
subroutine	siesta_context_destruct (this)
	Deconstruct a siesta_context_class object. More...
subroutine	siesta_context_read (this, restart_file_name)
	Read a restart file. More...

Variables
logical	lasym = .true.
logical	lrecon = .true.
logical	lcolscale = .true.
logical	ladd_pert = .true.
logical	lresistive = .true.
logical	lrestart = .false.
integer	niter = 100
integer	nsin = 50
integer	mpolin = 12
integer	ntorin = 2
real(rprec)	ftol = 1.0E-20
real(rprec)	levmarq_param = 3.0E-2
real(rprec)	mupar = 1.0E-3
character(len=100)	wout_file = 'wout_154921.02530.asym.ntor1.nc'
character(len=100)	restart_ext = 'restart_cth_'
integer, dimension(10)	mres
real(rprec), dimension(10)	helpert

Detailed Description

Defines the base class of the type siesta_context_class. This contains the state variables needed by SIESTA.

Function/Subroutine Documentation

siesta_context_construct()

type (siesta_context_class) function, pointer siesta_context::siesta_context_construct

(

character (len=*), intent(in)

restart_file_name

)

Construct a siesta_context_class object.

Allocates memory and initializes a siesta_context_class object.

Parameters

[in]

restart_file_name

Filename of the SIESTA restart file.

Returns

A pointer to a constructed siesta_context_class object.

Definition at line 133 of file siesta_context.f.

siesta_context_destruct()

subroutine siesta_context::siesta_context_destruct

(

type (siesta_context_class), pointer

this

)

Deconstruct a siesta_context_class object.

Deallocates memory and uninitializes a siesta_context_class object.

Parameters

[in,out]

this

A siesta_context_class instance.

Definition at line 289 of file siesta_context.f.

siesta_context_read()

subroutine siesta_context::siesta_context_read	(	type (siesta_context_class), pointer	this,
		character (len=*), intent(in)	restart_file_name
	)

Read a restart file.

Loads values from a new restart file.

Parameters

[in,out]	this	A siesta_context_class instance.
[in]	restart_file_name	Filename of the SIESTA restart file.

Definition at line 412 of file siesta_context.f.