taper_types Module Reference

Definition of the semi empirical parameter types. More...

Data Types
type	taper_type
	Taper type. More...

Functions/Subroutines
subroutine, public	taper_create (taper, rc, range)
	Creates taper type.
subroutine, public	taper_release (taper)
	Releases taper type.
real(kind=dp) function, public	taper_eval (taper, rij)
	Taper functions.
real(kind=dp) function, public	dtaper_eval (taper, rij)
	Analytical derivatives for taper function.

Detailed Description

Definition of the semi empirical parameter types.

Author

Teodoro Laino [tlaino] - 10.2008 University of Zurich

Function/Subroutine Documentation

taper_create()

subroutine, public taper_types::taper_create	(	type(taper_type), pointer	taper,
		real(kind=dp), intent(in)	rc,
		real(kind=dp), intent(in)	range
	)

Creates taper type.

Parameters

taper	...
rc	...
range	...

Definition at line 43 of file taper_types.F.

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taper_release()

subroutine, public taper_types::taper_release

(

type(taper_type), pointer

taper

)

Releases taper type.

Parameters

taper

...

Definition at line 64 of file taper_types.F.

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taper_eval()

real(kind=dp) function, public taper_types::taper_eval	(	type(taper_type), pointer	taper,
		real(kind=dp), intent(in)	rij
	)

Taper functions.

Parameters

taper	...
rij	...

Returns

...

Definition at line 78 of file taper_types.F.

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dtaper_eval()

real(kind=dp) function, public taper_types::dtaper_eval	(	type(taper_type), pointer	taper,
		real(kind=dp), intent(in)	rij
	)

Analytical derivatives for taper function.

Parameters

taper	...
rij	...

Returns

...

Definition at line 98 of file taper_types.F.

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