kpoint_transitional Module Reference

Datatype to translate between k-points (2d) and gamma-point (1d) code. More...

Data Types
type	kpoint_transitional_type

Functions/Subroutines
type(dbcsr_p_type) function, dimension(:), pointer, public	get_1d_pointer (this)
	Smart getter, raises an error when called during a k-point calculation.
type(dbcsr_p_type) function, dimension(:, :), pointer, public	get_2d_pointer (this)
	Simple getter, needed because of PRIVATE.
subroutine, public	set_1d_pointer (this, ptr_1d)
	Assigns a 1D pointer.
subroutine, public	set_2d_pointer (this, ptr_2d)
	Assigns a 2D pointer.
subroutine, public	kpoint_transitional_release (this)
	Release the matrix set, using the right pointer.

Detailed Description

Datatype to translate between k-points (2d) and gamma-point (1d) code.

Note

In principle storing just the 2d pointer would be sufficient. However due to a bug in ifort with the deallocation of bounds-remapped pointers, we also have to store the original 1d pointer used for allocation.

History

11.2014 created [Ole Schuett]

Author

Ole Schuett

Function/Subroutine Documentation

get_1d_pointer()

type(dbcsr_p_type) function, dimension(:), pointer, public kpoint_transitional::get_1d_pointer

(

type(kpoint_transitional_type)

this

)

Smart getter, raises an error when called during a k-point calculation.

Parameters

this

...

Returns

...

Author

Ole Schuett

Definition at line 45 of file kpoint_transitional.F.

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get_2d_pointer()

type(dbcsr_p_type) function, dimension(:, :), pointer, public kpoint_transitional::get_2d_pointer

(

type(kpoint_transitional_type)

this

)

Simple getter, needed because of PRIVATE.

Parameters

this

...

Returns

...

Author

Ole Schuett

Definition at line 63 of file kpoint_transitional.F.

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set_1d_pointer()

subroutine, public kpoint_transitional::set_1d_pointer	(	type(kpoint_transitional_type)	this,
		type(dbcsr_p_type), dimension(:), pointer	ptr_1d
	)

Assigns a 1D pointer.

Parameters

this	...
ptr_1d	...

Author

Ole Schuett

Definition at line 76 of file kpoint_transitional.F.

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set_2d_pointer()

subroutine, public kpoint_transitional::set_2d_pointer	(	type(kpoint_transitional_type)	this,
		type(dbcsr_p_type), dimension(:, :), pointer	ptr_2d
	)

Assigns a 2D pointer.

Parameters

this	...
ptr_2d	...

Author

Ole Schuett

Definition at line 99 of file kpoint_transitional.F.

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kpoint_transitional_release()

subroutine, public kpoint_transitional::kpoint_transitional_release

(

type(kpoint_transitional_type)

this

)

Release the matrix set, using the right pointer.

Parameters

this

...

Author

Ole Schuett

Definition at line 118 of file kpoint_transitional.F.

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